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Patent code US9056865

Compile Data Set for Download or QSAR
Found 149 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Smoothened homolog


(Homo sapiens (Human))
BDBM162887
PNG
(US9056865, A-14)
Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C18H23ClN4O2S/c1-12-8-13(2)18(21-10-12)15-9-17(20-11-16(15)19)23-6-4-14(5-7-23)22-26(3,24)25/h8-11,14,22H,4-7H2,1-3H3
PDB

KEGG

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US Patent
n/an/a 6.40n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162989
PNG
(US9056865, A-116)
Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O
Show InChI InChI=1S/C20H25ClN4O3S/c1-14-10-15(2)20(23-12-14)16-11-18(22-13-17(16)21)24-5-7-25(8-6-24)19(26)4-9-29(3,27)28/h10-13H,4-9H2,1-3H3
PDB

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US Patent
n/an/a 6.80n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163024
PNG
(US9056865, A-151)
Show SMILES Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O
Show InChI InChI=1S/C19H22ClFN4O3S/c1-13-9-14(21)11-23-19(13)15-10-17(22-12-16(15)20)24-4-6-25(7-5-24)18(26)3-8-29(2,27)28/h9-12H,3-8H2,1-2H3
PDB

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US Patent
n/an/a 7.11n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162966
PNG
(US9056865, A-93)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O
Show InChI InChI=1S/C19H23ClN4O3S/c1-14-4-3-6-21-19(14)15-12-17(22-13-16(15)20)23-7-9-24(10-8-23)18(25)5-11-28(2,26)27/h3-4,6,12-13H,5,7-11H2,1-2H3
PDB

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US Patent
n/an/a 9.84n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163026
PNG
(US9056865, A-153)
Show SMILES Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCC(CC1)NS(=O)(=O)CC(C)(C)O
Show InChI InChI=1S/C20H26ClFN4O3S/c1-13-8-14(22)10-24-19(13)16-9-18(23-11-17(16)21)26-6-4-15(5-7-26)25-30(28,29)12-20(2,3)27/h8-11,15,25,27H,4-7,12H2,1-3H3
PDB

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US Patent
n/an/a 10.6n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162991
PNG
(US9056865, A-118)
Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CS(N)(=O)=O)CC1
Show InChI InChI=1S/C18H23ClN4O2S/c1-12-7-13(2)18(22-9-12)15-8-17(21-10-16(15)19)23-5-3-14(4-6-23)11-26(20,24)25/h7-10,14H,3-6,11H2,1-2H3,(H2,20,24,25)
PDB

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US Patent
n/an/a 11.1n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163025
PNG
(US9056865, A-152)
Show SMILES Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCN(CC1)S(=O)(=O)CC(C)(C)O
Show InChI InChI=1S/C19H24ClFN4O3S/c1-13-8-14(21)10-23-18(13)15-9-17(22-11-16(15)20)24-4-6-25(7-5-24)29(27,28)12-19(2,3)26/h8-11,26H,4-7,12H2,1-3H3
PDB

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US Patent
n/an/a 11.4n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163000
PNG
(US9056865, A-127)
Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CC1)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C20H25ClN4O2S/c1-13-9-14(2)20(23-11-13)17-10-19(22-12-18(17)21)25-7-5-15(6-8-25)24-28(26,27)16-3-4-16/h9-12,15-16,24H,3-8H2,1-2H3
PDB

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US Patent
n/an/a 11.5n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162994
PNG
(US9056865, A-121)
Show SMILES CCS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
Show InChI InChI=1S/C19H25ClN4O2S/c1-4-27(25,26)23-15-5-7-24(8-6-15)18-10-16(17(20)12-21-18)19-14(3)9-13(2)11-22-19/h9-12,15,23H,4-8H2,1-3H3
PDB

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US Patent
n/an/a 11.6n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163014
PNG
(US9056865, A-141)
Show SMILES Cc1cnc(c(C)c1)-c1ccnc(c1)N1CCN(CC1)C(=O)CCS(C)(=O)=O
Show InChI InChI=1S/C20H26N4O3S/c1-15-12-16(2)20(22-14-15)17-4-6-21-18(13-17)23-7-9-24(10-8-23)19(25)5-11-28(3,26)27/h4,6,12-14H,5,7-11H2,1-3H3
PDB

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US Patent
n/an/a 11.6n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163029
PNG
(US9056865, A-156)
Show SMILES C[C@H]1CN(CC(=O)N2CCN(CC2)c2cc(ccn2)-c2ncc(C)cc2C)C[C@@H](C)O1 |r|
Show InChI InChI=1S/C24H33N5O2/c1-17-11-18(2)24(26-13-17)21-5-6-25-22(12-21)28-7-9-29(10-8-28)23(30)16-27-14-19(3)31-20(4)15-27/h5-6,11-13,19-20H,7-10,14-16H2,1-4H3/t19-,20+
PDB

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US Patent
n/an/a 12.1n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163016
PNG
(US9056865, A-143)
Show SMILES Cc1cnc(c(C)c1)-c1ccnc(c1)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C18H24N4O2S/c1-13-10-14(2)18(20-12-13)15-4-7-19-17(11-15)22-8-5-16(6-9-22)21-25(3,23)24/h4,7,10-12,16,21H,5-6,8-9H2,1-3H3
PDB

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US Patent
n/an/a 12.2n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162971
PNG
(US9056865, A-98)
Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CS(C)(=O)=O)CC1
Show InChI InChI=1S/C19H24ClN3O2S/c1-13-8-14(2)19(22-10-13)16-9-18(21-11-17(16)20)23-6-4-15(5-7-23)12-26(3,24)25/h8-11,15H,4-7,12H2,1-3H3
PDB

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US Patent
n/an/a 12.4n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162995
PNG
(US9056865, A-122)
Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CC1)NC(=O)CCS(C)(=O)=O
Show InChI InChI=1S/C21H27ClN4O3S/c1-14-10-15(2)21(24-12-14)17-11-19(23-13-18(17)22)26-7-4-16(5-8-26)25-20(27)6-9-30(3,28)29/h10-13,16H,4-9H2,1-3H3,(H,25,27)
PDB

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US Patent
n/an/a 14.7n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163030
PNG
(US9056865, A-157)
Show SMILES Cc1cnc(c(C)c1)-c1ccnc(c1)N1CCN(CC1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C22H29N5O2/c1-17-13-18(2)22(24-15-17)19-3-4-23-20(14-19)26-5-7-27(8-6-26)21(28)16-25-9-11-29-12-10-25/h3-4,13-15H,5-12,16H2,1-2H3
PDB

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US Patent
n/an/a 14.8n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162999
PNG
(US9056865, A-126)
Show SMILES OCCS(=O)(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
Show InChI InChI=1S/C17H21ClN4O3S/c18-14-4-5-16(20-17(14)15-3-1-2-8-19-15)22-9-6-13(7-10-22)21-26(24,25)12-11-23/h1-5,8,13,21,23H,6-7,9-12H2
PDB

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n/an/a 15.2n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163006
PNG
(US9056865, A-133)
Show SMILES Clc1ccc(nc1-c1ccccn1)N1CCC(CC1)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C18H21ClN4O2S/c19-15-6-7-17(21-18(15)16-3-1-2-10-20-16)23-11-8-13(9-12-23)22-26(24,25)14-4-5-14/h1-3,6-7,10,13-14,22H,4-5,8-9,11-12H2
PDB

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n/an/a 16.5n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162990
PNG
(US9056865, A-117)
Show SMILES Cc1ccc(nc1)-c1nc(ccc1Cl)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C17H21ClN4O2S/c1-12-3-5-15(19-11-12)17-14(18)4-6-16(20-17)22-9-7-13(8-10-22)21-25(2,23)24/h3-6,11,13,21H,7-10H2,1-2H3
PDB

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US Patent
n/an/a 17n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162923
PNG
(US9056865, A-50)
Show SMILES Cc1cccnc1-c1ccnc(n1)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C16H21N5O2S/c1-12-4-3-8-17-15(12)14-5-9-18-16(19-14)21-10-6-13(7-11-21)20-24(2,22)23/h3-5,8-9,13,20H,6-7,10-11H2,1-2H3
PDB

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US Patent
n/an/a 17.7n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163012
PNG
(US9056865, A-139)
Show SMILES Cc1cnc(c(C)c1)-c1c(Cl)cnc(N2CCC(CC2)NC(=O)CCS(C)(=O)=O)c1F |(-10,-2.03,;-8.67,-1.26,;-7.33,-2.03,;-6,-1.26,;-6,.28,;-7.33,1.05,;-7.33,2.59,;-8.67,.28,;-4.67,1.05,;-4.67,2.59,;-6,3.36,;-3.33,3.36,;-2,2.59,;-2,1.05,;-.67,.28,;-.67,-1.26,;.67,-2.03,;2,-1.26,;2,.28,;.67,1.05,;3.33,-2.03,;4.67,-1.26,;4.67,.28,;6,-2.03,;7.33,-1.26,;8.67,-2.03,;10,-1.26,;7.9,-3.36,;9.44,-3.36,;-3.33,.28,;-3.33,-1.26,)|
Show InChI InChI=1S/C21H26ClFN4O3S/c1-13-10-14(2)20(24-11-13)18-16(22)12-25-21(19(18)23)27-7-4-15(5-8-27)26-17(28)6-9-31(3,29)30/h10-12,15H,4-9H2,1-3H3,(H,26,28)
PDB

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US Patent
n/an/a 17.8n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162881
PNG
(US9056865, A-8)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C17H21ClN4O2S/c1-12-4-3-7-19-17(12)14-10-16(20-11-15(14)18)22-8-5-13(6-9-22)21-25(2,23)24/h3-4,7,10-11,13,21H,5-6,8-9H2,1-2H3
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n/an/a 18.7n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162885
PNG
(US9056865, A-12)
Show SMILES CS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(Cl)cc1Cl
Show InChI InChI=1S/C16H17Cl3N4O2S/c1-26(24,25)22-11-2-4-23(5-3-11)15-7-12(14(19)9-20-15)16-13(18)6-10(17)8-21-16/h6-9,11,22H,2-5H2,1H3
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n/an/a 18.8n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162987
PNG
(US9056865, A-114)
Show SMILES CN(C)CC(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
Show InChI InChI=1S/C21H28ClN5O/c1-14-9-15(2)21(24-11-14)17-10-19(23-12-18(17)22)27-7-5-16(6-8-27)25-20(28)13-26(3)4/h9-12,16H,5-8,13H2,1-4H3,(H,25,28)
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n/an/a 19.2n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162976
PNG
(US9056865, A-103)
Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CC(C)(C)O
Show InChI InChI=1S/C21H27ClN4O2/c1-14-9-15(2)20(24-12-14)16-10-18(23-13-17(16)22)25-5-7-26(8-6-25)19(27)11-21(3,4)28/h9-10,12-13,28H,5-8,11H2,1-4H3
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n/an/a 19.4n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163015
PNG
(US9056865, A-142)
Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1F)N1CCN(CC1)C(=O)CCS(C)(=O)=O
Show InChI InChI=1S/C20H25FN4O3S/c1-14-10-15(2)20(23-12-14)16-11-18(22-13-17(16)21)24-5-7-25(8-6-24)19(26)4-9-29(3,27)28/h10-13H,4-9H2,1-3H3
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n/an/a 20.4n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162982
PNG
(US9056865, A-109)
Show SMILES Cc1cc(Cl)cnc1-c1cc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C17H20Cl2N4O2S/c1-11-7-12(18)9-21-17(11)14-8-16(20-10-15(14)19)23-5-3-13(4-6-23)22-26(2,24)25/h7-10,13,22H,3-6H2,1-2H3
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n/an/a 20.5n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162889
PNG
(US9056865, A-16)
Show SMILES Cc1cccnc1-c1nc(ccc1Cl)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C17H21ClN4O2S/c1-12-4-3-9-19-16(12)17-14(18)5-6-15(20-17)22-10-7-13(8-11-22)21-25(2,23)24/h3-6,9,13,21H,7-8,10-11H2,1-2H3
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n/an/a 20.6n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163022
PNG
(US9056865, A-149)
Show SMILES Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCC(CC1)NS(=O)(=O)CCO
Show InChI InChI=1S/C18H22ClFN4O3S/c1-12-8-13(20)10-22-18(12)15-9-17(21-11-16(15)19)24-4-2-14(3-5-24)23-28(26,27)7-6-25/h8-11,14,23,25H,2-7H2,1H3
PDB

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n/an/a 20.7n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162981
PNG
(US9056865, A-108)
Show SMILES Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C17H20ClFN4O2S/c1-11-7-12(19)9-21-17(11)14-8-16(20-10-15(14)18)23-5-3-13(4-6-23)22-26(2,24)25/h7-10,13,22H,3-6H2,1-2H3
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n/an/a 20.8n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162920
PNG
(US9056865, A-47)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CC(C)(C)O
Show InChI InChI=1S/C20H25ClN4O2/c1-14-5-4-6-22-19(14)15-11-17(23-13-16(15)21)24-7-9-25(10-8-24)18(26)12-20(2,3)27/h4-6,11,13,27H,7-10,12H2,1-3H3
PDB

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n/an/a 21.7n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162988
PNG
(US9056865, A-115)
Show SMILES Cc1ccc(nc1)-c1cccc(n1)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C17H22N4O2S/c1-13-6-7-15(18-12-13)16-4-3-5-17(19-16)21-10-8-14(9-11-21)20-24(2,22)23/h3-7,12,14,20H,8-11H2,1-2H3
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n/an/a 22n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163020
PNG
(US9056865, A-147)
Show SMILES Cc1ccc(nc1)-c1nc(ccc1Cl)N1CCN(CC1)C(=O)CCS(C)(=O)=O
Show InChI InChI=1S/C19H23ClN4O3S/c1-14-3-5-16(21-13-14)19-15(20)4-6-17(22-19)23-8-10-24(11-9-23)18(25)7-12-28(2,26)27/h3-6,13H,7-12H2,1-2H3
PDB

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n/an/a 22.5n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162984
PNG
(US9056865, A-111)
Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)S(=O)(=O)CCO
Show InChI InChI=1S/C18H23ClN4O3S/c1-13-9-14(2)18(21-11-13)15-10-17(20-12-16(15)19)22-3-5-23(6-4-22)27(25,26)8-7-24/h9-12,24H,3-8H2,1-2H3
PDB

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n/an/a 23.3n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162907
PNG
(US9056865, A-34)
Show SMILES Cc1cccnc1-c1nc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C16H20ClN5O2S/c1-11-4-3-7-18-14(11)15-13(17)10-19-16(20-15)22-8-5-12(6-9-22)21-25(2,23)24/h3-4,7,10,12,21H,5-6,8-9H2,1-2H3
PDB

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n/an/a 24.4n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162947
PNG
(US9056865, A-74)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NCC1CN(CC2CC2)C(=O)CO1
Show InChI InChI=1S/C26H32ClN5O3/c1-17-3-2-8-28-25(17)21-11-23(29-13-22(21)27)31-9-6-19(7-10-31)26(34)30-12-20-15-32(14-18-4-5-18)24(33)16-35-20/h2-3,8,11,13,18-20H,4-7,9-10,12,14-16H2,1H3,(H,30,34)
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n/an/a 25.5n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162916
PNG
(US9056865, A-43)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCN(CC1)C(=O)C(C)(C)C
Show InChI InChI=1S/C20H25ClN4O/c1-14-6-5-7-22-18(14)15-12-17(23-13-16(15)21)24-8-10-25(11-9-24)19(26)20(2,3)4/h5-7,12-13H,8-11H2,1-4H3
PDB

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n/an/a 25.5n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162949
PNG
(US9056865, A-76)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NC1(CO)CCCC1
Show InChI InChI=1S/C23H29ClN4O2/c1-16-5-4-10-25-21(16)18-13-20(26-14-19(18)24)28-11-6-17(7-12-28)22(30)27-23(15-29)8-2-3-9-23/h4-5,10,13-14,17,29H,2-3,6-9,11-12,15H2,1H3,(H,27,30)
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n/an/a 25.8n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162964
PNG
(US9056865, A-91)
Show SMILES NS(=O)(=O)CC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
Show InChI InChI=1S/C16H19ClN4O2S/c17-13-4-5-15(20-16(13)14-3-1-2-8-19-14)21-9-6-12(7-10-21)11-24(18,22)23/h1-5,8,12H,6-7,9-11H2,(H2,18,22,23)
PDB

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n/an/a 26.3n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162996
PNG
(US9056865, A-123)
Show SMILES COCCS(=O)(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
Show InChI InChI=1S/C18H23ClN4O3S/c1-26-12-13-27(24,25)22-14-7-10-23(11-8-14)17-6-5-15(19)18(21-17)16-4-2-3-9-20-16/h2-6,9,14,22H,7-8,10-13H2,1H3
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n/an/a 26.7n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162945
PNG
(US9056865, A-72)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NC1CCCCC1O
Show InChI InChI=1S/C23H29ClN4O2/c1-15-5-4-10-25-22(15)17-13-21(26-14-18(17)24)28-11-8-16(9-12-28)23(30)27-19-6-2-3-7-20(19)29/h4-5,10,13-14,16,19-20,29H,2-3,6-9,11-12H2,1H3,(H,27,30)
PDB

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n/an/a 28.3n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162962
PNG
(US9056865, A-89)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@H]1CC[C@H](CO)CC1 |r,wU:23.25,wD:26.29,(,9.63,;1.33,8.85,;2.67,9.63,;4,8.85,;4,7.31,;2.67,6.54,;1.33,7.31,;,6.54,;,5,;-1.33,4.23,;-2.67,5,;-2.67,6.54,;-1.33,7.31,;-1.33,8.85,;-1.33,2.69,;-2.67,1.93,;-2.67,.38,;-1.33,-.38,;,.38,;,1.93,;-1.33,-1.93,;,-2.69,;-2.67,-2.69,;-2.67,-4.23,;-1.33,-5,;-1.33,-6.54,;-2.67,-7.31,;-2.67,-8.85,;-1.33,-9.63,;-4,-6.54,;-4,-5,)|
Show InChI InChI=1S/C24H31ClN4O2/c1-16-3-2-10-26-23(16)20-13-22(27-14-21(20)25)29-11-8-18(9-12-29)24(31)28-19-6-4-17(15-30)5-7-19/h2-3,10,13-14,17-19,30H,4-9,11-12,15H2,1H3,(H,28,31)/t17-,19-
PDB

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n/an/a 28.5n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162983
PNG
(US9056865, A-110)
Show SMILES COCCS(=O)(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
Show InChI InChI=1S/C19H25ClN4O3S/c1-14-10-15(2)19(22-12-14)16-11-18(21-13-17(16)20)23-4-6-24(7-5-23)28(25,26)9-8-27-3/h10-13H,4-9H2,1-3H3
PDB

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n/an/a 29.2n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163027
PNG
(US9056865, A-154)
Show SMILES Cc1cc(F)cnc1-c1nc(ccc1Cl)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C17H20ClFN4O2S/c1-11-9-12(19)10-20-16(11)17-14(18)3-4-15(21-17)23-7-5-13(6-8-23)22-26(2,24)25/h3-4,9-10,13,22H,5-8H2,1-2H3
PDB

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n/an/a 29.2n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163017
PNG
(US9056865, A-144)
Show SMILES Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCC(CC1)NC(=O)CCS(C)(=O)=O
Show InChI InChI=1S/C20H24ClFN4O3S/c1-13-9-14(22)11-24-20(13)16-10-18(23-12-17(16)21)26-6-3-15(4-7-26)25-19(27)5-8-30(2,28)29/h9-12,15H,3-8H2,1-2H3,(H,25,27)
PDB

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n/an/a 29.8n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162970
PNG
(US9056865, A-97)
Show SMILES Cc1cccnc1-c1nc(ncc1Cl)N1CCC(CS(C)(=O)=O)CC1
Show InChI InChI=1S/C17H21ClN4O2S/c1-12-4-3-7-19-15(12)16-14(18)10-20-17(21-16)22-8-5-13(6-9-22)11-25(2,23)24/h3-4,7,10,13H,5-6,8-9,11H2,1-2H3
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n/an/a 30n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163004
PNG
(US9056865, A-131)
Show SMILES CC(C)(O)CC(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
Show InChI InChI=1S/C20H25ClN4O2/c1-20(2,27)13-18(26)23-14-8-11-25(12-9-14)17-7-6-15(21)19(24-17)16-5-3-4-10-22-16/h3-7,10,14,27H,8-9,11-13H2,1-2H3,(H,23,26)
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n/an/a 30.5n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163001
PNG
(US9056865, A-128)
Show SMILES CS(=O)(=O)CCC(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
Show InChI InChI=1S/C19H23ClN4O3S/c1-28(26,27)13-9-18(25)22-14-7-11-24(12-8-14)17-6-5-15(20)19(23-17)16-4-2-3-10-21-16/h2-6,10,14H,7-9,11-13H2,1H3,(H,22,25)
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n/an/a 31.3n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162883
PNG
(US9056865, A-10)
Show SMILES CS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1Cl
Show InChI InChI=1S/C16H18Cl2N4O2S/c1-25(23,24)21-11-4-7-22(8-5-11)15-9-12(14(18)10-20-15)16-13(17)3-2-6-19-16/h2-3,6,9-11,21H,4-5,7-8H2,1H3
PDB

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n/an/a 32.1n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162954
PNG
(US9056865, A-81)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@@H]1CCCC[C@H]1O |r|
Show InChI InChI=1S/C23H29ClN4O2/c1-15-5-4-10-25-22(15)17-13-21(26-14-18(17)24)28-11-8-16(9-12-28)23(30)27-19-6-2-3-7-20(19)29/h4-5,10,13-14,16,19-20,29H,2-3,6-9,11-12H2,1H3,(H,27,30)/t19-,20-/m1/s1
PDB

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n/an/a 32.6n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162884
PNG
(US9056865, A-11)
Show SMILES CS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ccc(Cl)cn1
Show InChI InChI=1S/C16H18Cl2N4O2S/c1-25(23,24)21-12-4-6-22(7-5-12)16-8-13(14(18)10-20-16)15-3-2-11(17)9-19-15/h2-3,8-10,12,21H,4-7H2,1H3
PDB

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n/an/a 32.9n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162972
PNG
(US9056865, A-99)
Show SMILES CS(=O)(=O)CCC(=O)N1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
Show InChI InChI=1S/C18H21ClN4O3S/c1-27(25,26)13-7-17(24)23-11-9-22(10-12-23)16-6-5-14(19)18(21-16)15-4-2-3-8-20-15/h2-6,8H,7,9-13H2,1H3
PDB

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n/an/a 33.1n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163021
PNG
(US9056865, A-148)
Show SMILES Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CC(C)(C)O
Show InChI InChI=1S/C20H24ClFN4O2/c1-13-8-14(22)11-24-19(13)15-9-17(23-12-16(15)21)25-4-6-26(7-5-25)18(27)10-20(2,3)28/h8-9,11-12,28H,4-7,10H2,1-3H3
PDB

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n/an/a 33.4n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162953
PNG
(US9056865, A-80)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H27ClN4O3S/c1-15-3-2-8-24-21(15)18-13-20(25-14-19(18)23)27-9-4-16(5-10-27)22(28)26-17-6-11-31(29,30)12-7-17/h2-3,8,13-14,16-17H,4-7,9-12H2,1H3,(H,26,28)
PDB

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n/an/a 33.6n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162888
PNG
(US9056865, A-15)
Show SMILES CS(=O)(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
Show InChI InChI=1S/C16H19ClN4O2S/c1-24(22,23)20-12-7-10-21(11-8-12)15-6-5-13(17)16(19-15)14-4-2-3-9-18-14/h2-6,9,12,20H,7-8,10-11H2,1H3
PDB

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n/an/a 34.3n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162924
PNG
(US9056865, A-51)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H22ClN3O2S/c1-13-4-3-7-20-18(13)15-10-17(21-11-16(15)19)22-8-5-14(6-9-22)12-25(2,23)24/h3-4,7,10-11,14H,5-6,8-9,12H2,1-2H3
PDB

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n/an/a 35.8n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162977
PNG
(US9056865, A-104)
Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C17H21ClN4O2S/c1-12-8-13(2)17(20-10-12)14-9-16(19-11-15(14)18)21-4-6-22(7-5-21)25(3,23)24/h8-11H,4-7H2,1-3H3
PDB

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n/an/a 36n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162968
PNG
(US9056865, A-95)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)NC(=O)CCS(C)(=O)=O
Show InChI InChI=1S/C20H25ClN4O3S/c1-14-4-3-8-22-20(14)16-12-18(23-13-17(16)21)25-9-5-15(6-10-25)24-19(26)7-11-29(2,27)28/h3-4,8,12-13,15H,5-7,9-11H2,1-2H3,(H,24,26)
PDB

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n/an/a 37n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162892
PNG
(US9056865, A-19)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCN(CC1)c1ccc(cn1)C#N
Show InChI InChI=1S/C21H19ClN6/c1-15-3-2-6-24-21(15)17-11-20(26-14-18(17)22)28-9-7-27(8-10-28)19-5-4-16(12-23)13-25-19/h2-6,11,13-14H,7-10H2,1H3
PDB

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n/an/a 37.5n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162926
PNG
(US9056865, A-53)
Show SMILES CS(=O)(=O)CC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
Show InChI InChI=1S/C17H20ClN3O2S/c1-24(22,23)12-13-7-10-21(11-8-13)16-6-5-14(18)17(20-16)15-4-2-3-9-19-15/h2-6,9,13H,7-8,10-12H2,1H3
PDB

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n/an/a 38.2n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163005
PNG
(US9056865, A-132)
Show SMILES CCS(=O)(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
Show InChI InChI=1S/C17H21ClN4O2S/c1-2-25(23,24)21-13-8-11-22(12-9-13)16-7-6-14(18)17(20-16)15-5-3-4-10-19-15/h3-7,10,13,21H,2,8-9,11-12H2,1H3
PDB

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n/an/a 38.2n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162922
PNG
(US9056865, A-49)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)NCCS(C)(=O)=O
Show InChI InChI=1S/C19H25ClN4O2S/c1-14-4-3-7-22-19(14)16-12-18(23-13-17(16)20)24-9-5-15(6-10-24)21-8-11-27(2,25)26/h3-4,7,12-13,15,21H,5-6,8-11H2,1-2H3
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n/an/a 39n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162955
PNG
(US9056865, A-82)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccc(O)nn1
Show InChI InChI=1S/C25H28ClN7O2/c1-17-3-2-8-27-24(17)19-15-22(28-16-20(19)26)31-9-6-18(7-10-31)25(35)33-13-11-32(12-14-33)21-4-5-23(34)30-29-21/h2-5,8,15-16,18H,6-7,9-14H2,1H3,(H,30,34)
PDB

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n/an/a 39.2n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162993
PNG
(US9056865, A-120)
Show SMILES Cc1ccc(nc1)-c1nc(ccc1Br)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C17H21BrN4O2S/c1-12-3-5-15(19-11-12)17-14(18)4-6-16(20-17)22-9-7-13(8-10-22)21-25(2,23)24/h3-6,11,13,21H,7-10H2,1-2H3
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n/an/a 40n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163008
PNG
(US9056865, A-135)
Show SMILES COCC(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
Show InChI InChI=1S/C20H25ClN4O2/c1-13-8-14(2)20(23-10-13)16-9-18(22-11-17(16)21)25-6-4-15(5-7-25)24-19(26)12-27-3/h8-11,15H,4-7,12H2,1-3H3,(H,24,26)
PDB

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n/an/a 40n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162919
PNG
(US9056865, A-46)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCN(CC1)c1ncc(Br)cn1
Show InChI InChI=1S/C19H18BrClN6/c1-13-3-2-4-22-18(13)15-9-17(23-12-16(15)21)26-5-7-27(8-6-26)19-24-10-14(20)11-25-19/h2-4,9-12H,5-8H2,1H3
PDB

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n/an/a 40.3n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162934
PNG
(US9056865, A-61)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NCCC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C27H28ClN5O2/c1-17-5-4-11-29-25(17)21-15-24(31-16-22(21)28)33-13-9-18(10-14-33)26(34)30-12-8-20-19-6-2-3-7-23(19)32-27(20)35/h2-7,11,15-16,18,20H,8-10,12-14H2,1H3,(H,30,34)(H,32,35)
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n/an/a 40.9n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162958
PNG
(US9056865, A-85)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N1CCCC[C@H]1CO |r|
Show InChI InChI=1S/C23H29ClN4O2/c1-16-5-4-9-25-22(16)19-13-21(26-14-20(19)24)27-11-7-17(8-12-27)23(30)28-10-3-2-6-18(28)15-29/h4-5,9,13-14,17-18,29H,2-3,6-8,10-12,15H2,1H3/t18-/m0/s1
PDB

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n/an/a 42.4n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162943
PNG
(US9056865, A-70)
Show SMILES CN([C@@H]1CS(=O)(=O)C[C@H]1O)C(=O)C1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C |r|
Show InChI InChI=1S/C22H27ClN4O4S/c1-14-4-3-7-24-21(14)16-10-20(25-11-17(16)23)27-8-5-15(6-9-27)22(29)26(2)18-12-32(30,31)13-19(18)28/h3-4,7,10-11,15,18-19,28H,5-6,8-9,12-13H2,1-2H3/t18-,19-/m1/s1
PDB

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n/an/a 42.4n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162904
PNG
(US9056865, A-31)
Show SMILES CN(C)CC(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
Show InChI InChI=1S/C20H26ClN5O/c1-14-5-4-8-22-20(14)16-11-18(23-12-17(16)21)26-9-6-15(7-10-26)24-19(27)13-25(2)3/h4-5,8,11-12,15H,6-7,9-10,13H2,1-3H3,(H,24,27)
PDB

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n/an/a 43.4n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162967
PNG
(US9056865, A-94)
Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(O)CC1
Show InChI InChI=1S/C17H20ClN3O/c1-11-7-12(2)17(20-9-11)14-8-16(19-10-15(14)18)21-5-3-13(22)4-6-21/h7-10,13,22H,3-6H2,1-2H3
PDB

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n/an/a 44.2n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163013
PNG
(US9056865, A-140)
Show SMILES Cc1cnc(c(C)c1)-c1nc(ccc1Cl)N1CCC(CC1)NC(=O)CO
Show InChI InChI=1S/C19H23ClN4O2/c1-12-9-13(2)18(21-10-12)19-15(20)3-4-16(23-19)24-7-5-14(6-8-24)22-17(26)11-25/h3-4,9-10,14,25H,5-8,11H2,1-2H3,(H,22,26)
PDB

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n/an/a 47.7n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162961
PNG
(US9056865, A-88)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)Nc1cnn(C)n1
Show InChI InChI=1S/C20H22ClN7O/c1-13-4-3-7-22-19(13)15-10-18(23-11-16(15)21)28-8-5-14(6-9-28)20(29)25-17-12-24-27(2)26-17/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3,(H,25,26,29)
PDB

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n/an/a 49n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163019
PNG
(US9056865, A-146)
Show SMILES Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCC(CC1)NC(=O)CC(C)(C)O
Show InChI InChI=1S/C21H26ClFN4O2/c1-13-8-14(23)11-25-20(13)16-9-18(24-12-17(16)22)27-6-4-15(5-7-27)26-19(28)10-21(2,3)29/h8-9,11-12,15,29H,4-7,10H2,1-3H3,(H,26,28)
PDB

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n/an/a 52.2n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162902
PNG
(US9056865, A-29)
Show SMILES COCCC(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
Show InChI InChI=1S/C19H23ClN4O2/c1-14-4-3-6-21-19(14)15-12-17(22-13-16(15)20)23-7-9-24(10-8-23)18(25)5-11-26-2/h3-4,6,12-13H,5,7-11H2,1-2H3
PDB

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n/an/a 52.3n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162950
PNG
(US9056865, A-77)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NC1CCOCC1
Show InChI InChI=1S/C22H27ClN4O2/c1-15-3-2-8-24-21(15)18-13-20(25-14-19(18)23)27-9-4-16(5-10-27)22(28)26-17-6-11-29-12-7-17/h2-3,8,13-14,16-17H,4-7,9-12H2,1H3,(H,26,28)
PDB

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n/an/a 52.5n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163002
PNG
(US9056865, A-129)
Show SMILES CN(C)CC(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
Show InChI InChI=1S/C19H24ClN5O/c1-24(2)13-18(26)22-14-8-11-25(12-9-14)17-7-6-15(20)19(23-17)16-5-3-4-10-21-16/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,22,26)
PDB

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n/an/a 54.3n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162925
PNG
(US9056865, A-52)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)NC(=O)CC(C)(C)O
Show InChI InChI=1S/C21H27ClN4O2/c1-14-5-4-8-23-20(14)16-11-18(24-13-17(16)22)26-9-6-15(7-10-26)25-19(27)12-21(2,3)28/h4-5,8,11,13,15,28H,6-7,9-10,12H2,1-3H3,(H,25,27)
PDB

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n/an/a 54.3n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162986
PNG
(US9056865, A-113)
Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CC1)NC(=O)CO
Show InChI InChI=1S/C19H23ClN4O2/c1-12-7-13(2)19(22-9-12)15-8-17(21-10-16(15)20)24-5-3-14(4-6-24)23-18(26)11-25/h7-10,14,25H,3-6,11H2,1-2H3,(H,23,26)
PDB

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n/an/a 55.6n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162921
PNG
(US9056865, A-48)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H23ClN4O2S/c1-13-4-3-7-20-18(13)15-10-17(21-12-16(15)19)23-8-5-14(6-9-23)11-22-26(2,24)25/h3-4,7,10,12,14,22H,5-6,8-9,11H2,1-2H3
PDB

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n/an/a 57n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162975
PNG
(US9056865, A-102)
Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C18H21ClN4O2/c1-12-7-13(2)18(21-9-12)14-8-16(20-10-15(14)19)22-3-5-23(6-4-22)17(25)11-24/h7-10,24H,3-6,11H2,1-2H3
PDB

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n/an/a 57.9n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162992
PNG
(US9056865, A-119)
Show SMILES Cc1ccc(nc1)-c1nc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C16H20ClN5O2S/c1-11-3-4-14(18-9-11)15-13(17)10-19-16(20-15)22-7-5-12(6-8-22)21-25(2,23)24/h3-4,9-10,12,21H,5-8H2,1-2H3
PDB

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n/an/a 58.9n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162928
PNG
(US9056865, A-55)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NC1(CC1)c1ccccn1
Show InChI InChI=1S/C25H26ClN5O/c1-17-5-4-12-28-23(17)19-15-22(29-16-20(19)26)31-13-7-18(8-14-31)24(32)30-25(9-10-25)21-6-2-3-11-27-21/h2-6,11-12,15-16,18H,7-10,13-14H2,1H3,(H,30,32)
PDB

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n/an/a 63.3n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162927
PNG
(US9056865, A-54)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NCc1ncc[nH]1
Show InChI InChI=1S/C21H23ClN6O/c1-14-3-2-6-25-20(14)16-11-19(26-12-17(16)22)28-9-4-15(5-10-28)21(29)27-13-18-23-7-8-24-18/h2-3,6-8,11-12,15H,4-5,9-10,13H2,1H3,(H,23,24)(H,27,29)
PDB

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n/an/a 64.9n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162979
PNG
(US9056865, A-106)
Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CCO
Show InChI InChI=1S/C19H23ClN4O2/c1-13-9-14(2)19(22-11-13)15-10-17(21-12-16(15)20)23-4-6-24(7-5-23)18(26)3-8-25/h9-12,25H,3-8H2,1-2H3
PDB

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n/an/a 65.7n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163018
PNG
(US9056865, A-145)
Show SMILES CN(C)CC(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(F)cc1C
Show InChI InChI=1S/C20H25ClFN5O/c1-13-8-14(22)10-24-20(13)16-9-18(23-11-17(16)21)27-6-4-15(5-7-27)25-19(28)12-26(2)3/h8-11,15H,4-7,12H2,1-3H3,(H,25,28)
PDB

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n/an/a 66.2n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162933
PNG
(US9056865, A-60)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCN(C1)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H28ClN5O3S/c1-15-4-3-8-24-21(15)18-12-20(25-13-19(18)23)27-9-5-16(6-10-27)22(29)26-17-7-11-28(14-17)32(2,30)31/h3-4,8,12-13,16-17H,5-7,9-11,14H2,1-2H3,(H,26,29)/t17-/m0/s1
PDB

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n/an/a 67n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162932
PNG
(US9056865, A-59)
Show SMILES COc1cnc(NC(=O)C2CCN(CC2)c2cc(c(Cl)cn2)-c2ncccc2C)cn1
Show InChI InChI=1S/C22H23ClN6O2/c1-14-4-3-7-24-21(14)16-10-19(26-11-17(16)23)29-8-5-15(6-9-29)22(30)28-18-12-27-20(31-2)13-25-18/h3-4,7,10-13,15H,5-6,8-9H2,1-2H3,(H,25,28,30)
PDB

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n/an/a 71.4n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162974
PNG
(US9056865, A-101)
Show SMILES COC(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
Show InChI InChI=1S/C18H21ClN4O2/c1-12-8-13(2)17(21-10-12)14-9-16(20-11-15(14)19)22-4-6-23(7-5-22)18(24)25-3/h8-11H,4-7H2,1-3H3
PDB

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n/an/a 72.4n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162944
PNG
(US9056865, A-71)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@@H]1CC[C@H](O)CC1 |r,wU:23.25,26.29,(,9.24,;1.33,8.47,;2.67,9.24,;4,8.47,;4,6.93,;2.67,6.16,;1.33,6.93,;,6.16,;,4.62,;-1.33,3.85,;-2.67,4.62,;-2.67,6.16,;-1.33,6.93,;-1.33,8.47,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-1.33,-.77,;;,1.54,;-1.33,-2.31,;,-3.08,;-2.67,-3.08,;-2.67,-4.62,;-4,-5.39,;-4,-6.93,;-2.67,-7.7,;-2.67,-9.24,;-1.33,-6.93,;-1.33,-5.39,)|
Show InChI InChI=1S/C23H29ClN4O2/c1-15-3-2-10-25-22(15)19-13-21(26-14-20(19)24)28-11-8-16(9-12-28)23(30)27-17-4-6-18(29)7-5-17/h2-3,10,13-14,16-18,29H,4-9,11-12H2,1H3,(H,27,30)/t17-,18+
PDB

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n/an/a 72.9n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162882
PNG
(US9056865, A-9)
Show SMILES Cc1ccc(nc1)-c1cc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C17H21ClN4O2S/c1-12-3-4-16(19-10-12)14-9-17(20-11-15(14)18)22-7-5-13(6-8-22)21-25(2,23)24/h3-4,9-11,13,21H,5-8H2,1-2H3
PDB

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n/an/a 75n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162905
PNG
(US9056865, A-32)
Show SMILES COC(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
Show InChI InChI=1S/C18H21ClN4O2/c1-12-4-3-7-20-17(12)14-10-16(21-11-15(14)19)23-8-5-13(6-9-23)22-18(24)25-2/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H,22,24)
PDB

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n/an/a 77.9n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163023
PNG
(US9056865, A-150)
Show SMILES Cc1cc(F)cnc1-c1cc(ncc1Cl)N1CCN(CC1)S(=O)(=O)CCO
Show InChI InChI=1S/C17H20ClFN4O3S/c1-12-8-13(19)10-21-17(12)14-9-16(20-11-15(14)18)22-2-4-23(5-3-22)27(25,26)7-6-24/h8-11,24H,2-7H2,1H3
PDB

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n/an/a 80.9n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162978
PNG
(US9056865, A-105)
Show SMILES CN(C)CC(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
Show InChI InChI=1S/C20H26ClN5O/c1-14-9-15(2)20(23-11-14)16-10-18(22-12-17(16)21)25-5-7-26(8-6-25)19(27)13-24(3)4/h9-12H,5-8,13H2,1-4H3
PDB

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n/an/a 82.4n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162918
PNG
(US9056865, A-45)
Show SMILES CS(=O)(=O)NC1CCN(CC1)c1ncc(Cl)c(n1)-c1ccccn1
Show InChI InChI=1S/C15H18ClN5O2S/c1-24(22,23)20-11-5-8-21(9-6-11)15-18-10-12(16)14(19-15)13-4-2-3-7-17-13/h2-4,7,10-11,20H,5-6,8-9H2,1H3
PDB

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n/an/a 83.7n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163011
PNG
(US9056865, A-138)
Show SMILES CS(=O)(=O)NC1CCN(CC1)c1ncc(Cl)c(c1F)-c1ccccn1
Show InChI InChI=1S/C16H18ClFN4O2S/c1-25(23,24)21-11-5-8-22(9-6-11)16-15(18)14(12(17)10-20-16)13-4-2-3-7-19-13/h2-4,7,10-11,21H,5-6,8-9H2,1H3
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n/an/a 84.6n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162930
PNG
(US9056865, A-57)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@@H]1CCN(C1)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H28ClN5O3S/c1-15-4-3-8-24-21(15)18-12-20(25-13-19(18)23)27-9-5-16(6-10-27)22(29)26-17-7-11-28(14-17)32(2,30)31/h3-4,8,12-13,16-17H,5-7,9-11,14H2,1-2H3,(H,26,29)/t17-/m1/s1
PDB

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n/an/a 90.7n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162980
PNG
(US9056865, A-107)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1[C@H]2CC[C@@H]1CN(C2)C(=O)CC(C)(C)O |r,THB:9:14:19.20.21:16.17|
Show InChI InChI=1S/C22H27ClN4O2/c1-14-5-4-8-24-21(14)17-9-19(25-11-18(17)23)27-15-6-7-16(27)13-26(12-15)20(28)10-22(2,3)29/h4-5,8-9,11,15-16,29H,6-7,10,12-13H2,1-3H3/t15-,16+
PDB

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n/an/a 92.2n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162948
PNG
(US9056865, A-75)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)Nc1cccc(CO)n1
Show InChI InChI=1S/C23H24ClN5O2/c1-15-4-3-9-25-22(15)18-12-21(26-13-19(18)24)29-10-7-16(8-11-29)23(31)28-20-6-2-5-17(14-30)27-20/h2-6,9,12-13,16,30H,7-8,10-11,14H2,1H3,(H,27,28,31)
PDB

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n/an/a 93.3n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162998
PNG
(US9056865, A-125)
Show SMILES Cc1cc(cnc1-c1cc(ncc1Cl)N1CCC(CC1)NS(C)(=O)=O)C#N
Show InChI InChI=1S/C18H20ClN5O2S/c1-12-7-13(9-20)10-22-18(12)15-8-17(21-11-16(15)19)24-5-3-14(4-6-24)23-27(2,25)26/h7-8,10-11,14,23H,3-6H2,1-2H3
PDB

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n/an/a 95.6n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163028
PNG
(US9056865, A-155)
Show SMILES COCCS(=O)(=O)N1CCN(CC1)c1cc(ccn1)-c1ncc(C)cc1C
Show InChI InChI=1S/C19H26N4O3S/c1-15-12-16(2)19(21-14-15)17-4-5-20-18(13-17)22-6-8-23(9-7-22)27(24,25)11-10-26-3/h4-5,12-14H,6-11H2,1-3H3
PDB

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n/an/a 97n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162997
PNG
(US9056865, A-124)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1[C@@H]2CC[C@H]1[C@H](C2)NS(C)(=O)=O |r,TLB:9:14:17.16:20.19,THB:21:19:14:17.16|
Show InChI InChI=1S/C18H21ClN4O2S/c1-11-4-3-7-20-18(11)13-9-17(21-10-14(13)19)23-12-5-6-16(23)15(8-12)22-26(2,24)25/h3-4,7,9-10,12,15-16,22H,5-6,8H2,1-2H3/t12-,15+,16+/m1/s1
PDB

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n/an/a 100n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162969
PNG
(US9056865, A-96)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CNCCS(C)(=O)=O)CC1
Show InChI InChI=1S/C20H27ClN4O2S/c1-15-4-3-7-23-20(15)17-12-19(24-14-18(17)21)25-9-5-16(6-10-25)13-22-8-11-28(2,26)27/h3-4,7,12,14,16,22H,5-6,8-11,13H2,1-2H3
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n/an/a 102n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162929
PNG
(US9056865, A-56)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N1CCC(CC1)Nc1ccccn1
Show InChI InChI=1S/C27H31ClN6O/c1-19-5-4-12-30-26(19)22-17-25(31-18-23(22)28)33-13-7-20(8-14-33)27(35)34-15-9-21(10-16-34)32-24-6-2-3-11-29-24/h2-6,11-12,17-18,20-21H,7-10,13-16H2,1H3,(H,29,32)
PDB

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n/an/a 106n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162900
PNG
(US9056865, A-27)
Show SMILES COCCC(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
Show InChI InChI=1S/C20H25ClN4O2/c1-14-4-3-8-22-20(14)16-12-18(23-13-17(16)21)25-9-5-15(6-10-25)24-19(26)7-11-27-2/h3-4,8,12-13,15H,5-7,9-11H2,1-2H3,(H,24,26)
PDB

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n/an/a 107n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162912
PNG
(US9056865, A-39)
Show SMILES CCOC(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
Show InChI InChI=1S/C18H21ClN4O2/c1-3-25-18(24)23-9-7-22(8-10-23)16-11-14(15(19)12-21-16)17-13(2)5-4-6-20-17/h4-6,11-12H,3,7-10H2,1-2H3
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n/an/a 109n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162886
PNG
(US9056865, A-13)
Show SMILES CS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C17H18ClF3N4O2S/c1-28(26,27)24-12-4-6-25(7-5-12)16-8-13(14(18)10-23-16)15-3-2-11(9-22-15)17(19,20)21/h2-3,8-10,12,24H,4-7H2,1H3
PDB

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n/an/a 110n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162895
PNG
(US9056865, A-22)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C16H19ClN4O2S/c1-12-4-3-5-18-16(12)13-10-15(19-11-14(13)17)20-6-8-21(9-7-20)24(2,22)23/h3-5,10-11H,6-9H2,1-2H3
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n/an/a 110n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163003
PNG
(US9056865, A-130)
Show SMILES OCCC(=O)NC1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
Show InChI InChI=1S/C18H21ClN4O2/c19-14-4-5-16(22-18(14)15-3-1-2-9-20-15)23-10-6-13(7-11-23)21-17(25)8-12-24/h1-5,9,13,24H,6-8,10-12H2,(H,21,25)
PDB

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n/an/a 110n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162963
PNG
(US9056865, A-90)
Show SMILES CC(C)(O)CC(=O)N1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
Show InChI InChI=1S/C19H23ClN4O2/c1-19(2,26)13-17(25)24-11-9-23(10-12-24)16-7-6-14(20)18(22-16)15-5-3-4-8-21-15/h3-8,26H,9-13H2,1-2H3
PDB

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n/an/a 111n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162959
PNG
(US9056865, A-86)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N1CCCC(O)C1CO
Show InChI InChI=1S/C23H29ClN4O3/c1-15-4-2-8-25-22(15)17-12-21(26-13-18(17)24)27-10-6-16(7-11-27)23(31)28-9-3-5-20(30)19(28)14-29/h2,4,8,12-13,16,19-20,29-30H,3,5-7,9-11,14H2,1H3
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n/an/a 112n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162973
PNG
(US9056865, A-100)
Show SMILES CC(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(C)cc1C
Show InChI InChI=1S/C18H21ClN4O/c1-12-8-13(2)18(21-10-12)15-9-17(20-11-16(15)19)23-6-4-22(5-7-23)14(3)24/h8-11H,4-7H2,1-3H3
PDB

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n/an/a 113n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163007
PNG
(US9056865, A-134)
Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CC1)S(C)(=O)=O
Show InChI InChI=1S/C18H22ClN3O2S/c1-12-8-13(2)18(21-10-12)15-9-17(20-11-16(15)19)22-6-4-14(5-7-22)25(3,23)24/h8-11,14H,4-7H2,1-3H3
PDB

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n/an/a 114n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162941
PNG
(US9056865, A-68)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O |r|
Show InChI InChI=1S/C21H25ClN4O4S/c1-13-3-2-6-23-20(13)15-9-19(24-10-16(15)22)26-7-4-14(5-8-26)21(28)25-17-11-31(29,30)12-18(17)27/h2-3,6,9-10,14,17-18,27H,4-5,7-8,11-12H2,1H3,(H,25,28)/t17-,18-/m1/s1
PDB

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n/an/a 120n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162985
PNG
(US9056865, A-112)
Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCN(CCS(C)(=O)=O)CC1
Show InChI InChI=1S/C19H25ClN4O2S/c1-14-10-15(2)19(22-12-14)16-11-18(21-13-17(16)20)24-6-4-23(5-7-24)8-9-27(3,25)26/h10-13H,4-9H2,1-3H3
PDB

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n/an/a 124n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162915
PNG
(US9056865, A-42)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)OCC(=O)NC(C)(C)C
Show InChI InChI=1S/C22H29ClN4O2/c1-15-6-5-9-24-21(15)17-12-19(25-13-18(17)23)27-10-7-16(8-11-27)29-14-20(28)26-22(2,3)4/h5-6,9,12-13,16H,7-8,10-11,14H2,1-4H3,(H,26,28)
PDB

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n/an/a 125n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162917
PNG
(US9056865, A-44)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
Show InChI InChI=1S/C19H23ClN4O/c1-13(2)19(25)24-9-7-23(8-10-24)17-11-15(16(20)12-22-17)18-14(3)5-4-6-21-18/h4-6,11-13H,7-10H2,1-3H3
PDB

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n/an/a 128n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162914
PNG
(US9056865, A-41)
Show SMILES CCN(CC)C(=O)COC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
Show InChI InChI=1S/C22H29ClN4O2/c1-4-26(5-2)21(28)15-29-17-8-11-27(12-9-17)20-13-18(19(23)14-25-20)22-16(3)7-6-10-24-22/h6-7,10,13-14,17H,4-5,8-9,11-12,15H2,1-3H3
PDB

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n/an/a 131n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162965
PNG
(US9056865, A-92)
Show SMILES CS(=O)(=O)CC1CCN(CC1)c1ncc(Cl)c(n1)-c1ccccn1
Show InChI InChI=1S/C16H19ClN4O2S/c1-24(22,23)11-12-5-8-21(9-6-12)16-19-10-13(17)15(20-16)14-4-2-3-7-18-14/h2-4,7,10,12H,5-6,8-9,11H2,1H3
PDB

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n/an/a 132n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162960
PNG
(US9056865, A-87)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NCCc1c[nH]cn1
Show InChI InChI=1S/C22H25ClN6O/c1-15-3-2-7-25-21(15)18-11-20(27-13-19(18)23)29-9-5-16(6-10-29)22(30)26-8-4-17-12-24-14-28-17/h2-3,7,11-14,16H,4-6,8-10H2,1H3,(H,24,28)(H,26,30)
PDB

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n/an/a 134n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162936
PNG
(US9056865, A-63)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NC[C@H]1CCCO1 |r|
Show InChI InChI=1S/C22H27ClN4O2/c1-15-4-2-8-24-21(15)18-12-20(25-14-19(18)23)27-9-6-16(7-10-27)22(28)26-13-17-5-3-11-29-17/h2,4,8,12,14,16-17H,3,5-7,9-11,13H2,1H3,(H,26,28)/t17-/m1/s1
PDB

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n/an/a 137n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162956
PNG
(US9056865, A-83)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NCC1CCCCO1
Show InChI InChI=1S/C23H29ClN4O2/c1-16-5-4-9-25-22(16)19-13-21(26-15-20(19)24)28-10-7-17(8-11-28)23(29)27-14-18-6-2-3-12-30-18/h4-5,9,13,15,17-18H,2-3,6-8,10-12,14H2,1H3,(H,27,29)
PDB

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n/an/a 138n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162938
PNG
(US9056865, A-65)
Show SMILES CC(C)c1nn(C)c2CCN(Cc12)C(=O)C1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
Show InChI InChI=1S/C27H33ClN6O/c1-17(2)25-21-16-34(13-9-23(21)32(4)31-25)27(35)19-7-11-33(12-8-19)24-14-20(22(28)15-30-24)26-18(3)6-5-10-29-26/h5-6,10,14-15,17,19H,7-9,11-13,16H2,1-4H3
PDB

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n/an/a 145n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162946
PNG
(US9056865, A-73)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NCCc1nc2cccnc2n1C
Show InChI InChI=1S/C26H28ClN7O/c1-17-5-3-10-28-24(17)19-15-23(31-16-20(19)27)34-13-8-18(9-14-34)26(35)30-12-7-22-32-21-6-4-11-29-25(21)33(22)2/h3-6,10-11,15-16,18H,7-9,12-14H2,1-2H3,(H,30,35)
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US Patent
n/an/a 154n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162937
PNG
(US9056865, A-64)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NCC1(O)CCC1
Show InChI InChI=1S/C22H27ClN4O2/c1-15-4-2-9-24-20(15)17-12-19(25-13-18(17)23)27-10-5-16(6-11-27)21(28)26-14-22(29)7-3-8-22/h2,4,9,12-13,16,29H,3,5-8,10-11,14H2,1H3,(H,26,28)
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US Patent
n/an/a 157n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162903
PNG
(US9056865, A-30)
Show SMILES Cc1cccnc1-c1nc(ncc1Cl)N1CCC(O)CC1
Show InChI InChI=1S/C15H17ClN4O/c1-10-3-2-6-17-13(10)14-12(16)9-18-15(19-14)20-7-4-11(21)5-8-20/h2-3,6,9,11,21H,4-5,7-8H2,1H3
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US Patent
n/an/a 160n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162952
PNG
(US9056865, A-79)
Show SMILES COc1ccccc1CNC(=O)C1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
Show InChI InChI=1S/C25H27ClN4O2/c1-17-6-5-11-27-24(17)20-14-23(28-16-21(20)26)30-12-9-18(10-13-30)25(31)29-15-19-7-3-4-8-22(19)32-2/h3-8,11,14,16,18H,9-10,12-13,15H2,1-2H3,(H,29,31)
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US Patent
n/an/a 161n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162939
PNG
(US9056865, A-66)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@@H]1CC[C@@H](O)C1 |r|
Show InChI InChI=1S/C22H27ClN4O2/c1-14-3-2-8-24-21(14)18-12-20(25-13-19(18)23)27-9-6-15(7-10-27)22(29)26-16-4-5-17(28)11-16/h2-3,8,12-13,15-17,28H,4-7,9-11H2,1H3,(H,26,29)/t16-,17-/m1/s1
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US Patent
n/an/a 162n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162911
PNG
(US9056865, A-38)
Show SMILES CC(C)COC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
Show InChI InChI=1S/C20H26ClN3O/c1-14(2)13-25-16-6-9-24(10-7-16)19-11-17(18(21)12-23-19)20-15(3)5-4-8-22-20/h4-5,8,11-12,14,16H,6-7,9-10,13H2,1-3H3
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n/an/a 164n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162906
PNG
(US9056865, A-33)
Show SMILES Cc1cccnc1-c1nc(ncc1Cl)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C15H18ClN5O2S/c1-11-4-3-5-17-13(11)14-12(16)10-18-15(19-14)20-6-8-21(9-7-20)24(2,22)23/h3-5,10H,6-9H2,1-2H3
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US Patent
n/an/a 172n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162931
PNG
(US9056865, A-58)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N[C@H]1[C@@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C26H27ClN4O2/c1-16-5-4-10-28-24(16)20-14-23(29-15-21(20)27)31-11-8-17(9-12-31)26(33)30-25-19-7-3-2-6-18(19)13-22(25)32/h2-7,10,14-15,17,22,25,32H,8-9,11-13H2,1H3,(H,30,33)/t22-,25+/m0/s1
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US Patent
n/an/a 184n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162942
PNG
(US9056865, A-69)
Show SMILES CN([C@@H]1CS(=O)(=O)C[C@H]1O)C(=O)C1CN(C1)c1cc(c(Cl)cn1)-c1ncccc1C |r|
Show InChI InChI=1S/C20H23ClN4O4S/c1-12-4-3-5-22-19(12)14-6-18(23-7-15(14)21)25-8-13(9-25)20(27)24(2)16-10-30(28,29)11-17(16)26/h3-7,13,16-17,26H,8-11H2,1-2H3/t16-,17-/m1/s1
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US Patent
n/an/a 189n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162908
PNG
(US9056865, A-35)
Show SMILES CC(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
Show InChI InChI=1S/C18H21ClN4O/c1-12-4-3-7-20-18(12)15-10-17(21-11-16(15)19)23-8-5-14(6-9-23)22-13(2)24/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,22,24)
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n/an/a 199n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162910
PNG
(US9056865, A-37)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(COCCCO)CC1
Show InChI InChI=1S/C20H26ClN3O2/c1-15-4-2-7-22-20(15)17-12-19(23-13-18(17)21)24-8-5-16(6-9-24)14-26-11-3-10-25/h2,4,7,12-13,16,25H,3,5-6,8-11,14H2,1H3
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n/an/a 209n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162901
PNG
(US9056865, A-28)
Show SMILES COCC(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
Show InChI InChI=1S/C18H21ClN4O2/c1-13-4-3-5-20-18(13)14-10-16(21-11-15(14)19)22-6-8-23(9-7-22)17(24)12-25-2/h3-5,10-11H,6-9,12H2,1-2H3
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n/an/a 212n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162940
PNG
(US9056865, A-67)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NCCS(C)(=O)=O
Show InChI InChI=1S/C20H25ClN4O3S/c1-14-4-3-7-22-19(14)16-12-18(24-13-17(16)21)25-9-5-15(6-10-25)20(26)23-8-11-29(2,27)28/h3-4,7,12-13,15H,5-6,8-11H2,1-2H3,(H,23,26)
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n/an/a 217n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162935
PNG
(US9056865, A-62)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)N1CC(C1)S(=O)(=O)CC1CC1
Show InChI InChI=1S/C24H29ClN4O3S/c1-16-3-2-8-26-23(16)20-11-22(27-12-21(20)25)28-9-6-18(7-10-28)24(30)29-13-19(14-29)33(31,32)15-17-4-5-17/h2-3,8,11-12,17-19H,4-7,9-10,13-15H2,1H3
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n/an/a 234n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162898
PNG
(US9056865, A-25)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C17H19ClN4O2/c1-12-3-2-4-19-17(12)13-9-15(20-10-14(13)18)21-5-7-22(8-6-21)16(24)11-23/h2-4,9-10,23H,5-8,11H2,1H3
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US Patent
n/an/a 239n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162897
PNG
(US9056865, A-24)
Show SMILES COC(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
Show InChI InChI=1S/C17H19ClN4O2/c1-12-4-3-5-19-16(12)13-10-15(20-11-14(13)18)21-6-8-22(9-7-21)17(23)24-2/h3-5,10-11H,6-9H2,1-2H3
PDB

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n/an/a 243n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162909
PNG
(US9056865, A-36)
Show SMILES COC(=O)N1CCN(CC1)c1ncc(Cl)c(n1)-c1ncccc1C
Show InChI InChI=1S/C16H18ClN5O2/c1-11-4-3-5-18-13(11)14-12(17)10-19-15(20-14)21-6-8-22(9-7-21)16(23)24-2/h3-5,10H,6-9H2,1-2H3
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n/an/a 246n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162913
PNG
(US9056865, A-40)
Show SMILES CCCNC(=O)COC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
Show InChI InChI=1S/C21H27ClN4O2/c1-3-8-23-20(27)14-28-16-6-10-26(11-7-16)19-12-17(18(22)13-25-19)21-15(2)5-4-9-24-21/h4-5,9,12-13,16H,3,6-8,10-11,14H2,1-2H3,(H,23,27)
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n/an/a 254n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162957
PNG
(US9056865, A-84)
Show SMILES CN1CCC2(CC1)CC(CCO2)NC(=O)C1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
Show InChI InChI=1S/C27H36ClN5O2/c1-19-4-3-10-29-25(19)22-16-24(30-18-23(22)28)33-11-5-20(6-12-33)26(34)31-21-7-15-35-27(17-21)8-13-32(2)14-9-27/h3-4,10,16,18,20-21H,5-9,11-15,17H2,1-2H3,(H,31,34)
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n/an/a 283n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162951
PNG
(US9056865, A-78)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC(CC1)C(=O)NC1CCOC1
Show InChI InChI=1S/C21H25ClN4O2/c1-14-3-2-7-23-20(14)17-11-19(24-12-18(17)22)26-8-4-15(5-9-26)21(27)25-16-6-10-28-13-16/h2-3,7,11-12,15-16H,4-6,8-10,13H2,1H3,(H,25,27)
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n/an/a 295n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162894
PNG
(US9056865, A-21)
Show SMILES Cc1cccnc1-c1cc(ncc1Cl)N1CCC2(CNC(=O)O2)CC1
Show InChI InChI=1S/C18H19ClN4O2/c1-12-3-2-6-20-16(12)13-9-15(21-10-14(13)19)23-7-4-18(5-8-23)11-22-17(24)25-18/h2-3,6,9-10H,4-5,7-8,11H2,1H3,(H,22,24)
PDB

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antibodypedia
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US Patent
n/an/a 297n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM163009
PNG
(US9056865, A-136)
Show SMILES COCCS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
Show InChI InChI=1S/C17H21ClN4O3S/c1-25-12-13-26(23,24)22-10-8-21(9-11-22)16-6-5-14(18)17(20-16)15-4-2-3-7-19-15/h2-7H,8-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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UniChem
US Patent
n/an/a 328n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162891
PNG
(US9056865, A-18)
Show SMILES CS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ccc(F)cn1
Show InChI InChI=1S/C16H18ClFN4O2S/c1-25(23,24)21-12-4-6-22(7-5-12)16-8-13(14(17)10-20-16)15-3-2-11(18)9-19-15/h2-3,8-10,12,21H,4-7H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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US Patent
n/an/a 343n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162899
PNG
(US9056865, A-26)
Show SMILES CC(=O)N1CCN(CC1)c1ncc(Cl)c(n1)-c1ncccc1C
Show InChI InChI=1S/C16H18ClN5O/c1-11-4-3-5-18-14(11)15-13(17)10-19-16(20-15)22-8-6-21(7-9-22)12(2)23/h3-5,10H,6-9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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US Patent
n/an/a 359n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162893
PNG
(US9056865, A-20)
Show SMILES CN1CC2(CCN(CC2)c2cc(c(Cl)cn2)-c2ncccc2C)OC1=O
Show InChI InChI=1S/C19H21ClN4O2/c1-13-4-3-7-21-17(13)14-10-16(22-11-15(14)20)24-8-5-19(6-9-24)12-23(2)18(25)26-19/h3-4,7,10-11H,5-6,8-9,12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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US Patent
n/an/a 407n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162896
PNG
(US9056865, A-23)
Show SMILES CC(=O)N1CCN(CC1)c1cc(c(Cl)cn1)-c1ncccc1C
Show InChI InChI=1S/C17H19ClN4O/c1-12-4-3-5-19-17(12)14-10-16(20-11-15(14)18)22-8-6-21(7-9-22)13(2)23/h3-5,10-11H,6-9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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US Patent
n/an/a 417n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM162890
PNG
(US9056865, A-17)
Show SMILES CS(=O)(=O)NC1CCN(CC1)c1cc(c(Cl)cn1)-c1ncc(Cl)cc1F
Show InChI InChI=1S/C16H17Cl2FN4O2S/c1-26(24,25)22-11-2-4-23(5-3-11)15-7-12(13(18)9-20-15)16-14(19)6-10(17)8-21-16/h6-9,11,22H,2-5H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 511n/an/an/an/an/a25



Pfizer Inc.

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%