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Compile Data Set for Download or QSAR

Found 723 hits with Last Name = 'goldsmith' and Initial = 'p'   
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
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50419411
PNG
(CHEMBL1915012)
Show SMILES CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(O)=O)c2o1
Show InChI InChI=1S/C17H17ClN2O3/c1-9(2)15-7-11-5-13(18)6-12(16(11)23-15)8-20-10(3)4-14(19-20)17(21)22/h4-7,9H,8H2,1-3H3,(H,21,22)
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0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant EP1 receptor expressed in CHO-K1 cells assessed as inhibition of PGE2-mediated intracellular calcium mobiliz...


Bioorg Med Chem Lett 21: 4343-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.047
BindingDB Entry DOI: 10.7270/Q2RN394N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50363990
PNG
(CHEMBL1949915)
Show SMILES CS(=O)(=O)N1CCC(Cc2cc3c(nc(nc3s2)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C21H27N7O3S2/c1-33(29,30)28-4-2-14(3-5-28)10-16-11-17-19(27-6-8-31-9-7-27)25-18(26-20(17)32-16)15-12-23-21(22)24-13-15/h11-14H,2-10H2,1H3,(H2,22,23,24)
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0.400n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50376788
PNG
(CHEMBL257997)
Show SMILES CC(C)Cc1cn(-c2nc(cs2)C([O-])=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C16H15ClN2O2S/c1-9(2)5-10-7-19(14-6-11(17)3-4-12(10)14)16-18-13(8-22-16)15(20)21/h3-4,6-9H,5H2,1-2H3,(H,20,21)/p-1
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0.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human EP1 receptor expressed in CHOK1 cells assessed as inhibition of PGE2-induced intracellular calcium mobilization by ...


Bioorg Med Chem Lett 18: 2684-90 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.018
BindingDB Entry DOI: 10.7270/Q2PC338K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419759
PNG
(CHEMBL1949916)
Show SMILES CS(=O)(=O)C1CCN(Cc2cc3c(nc(nc3s2)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C21H27N7O3S2/c1-33(29,30)16-2-4-27(5-3-16)13-15-10-17-19(28-6-8-31-9-7-28)25-18(26-20(17)32-15)14-11-23-21(22)24-12-14/h10-12,16H,2-9,13H2,1H3,(H2,22,23,24)
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1n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50347090
PNG
(CHEMBL1796276)
Show SMILES CNC(=O)c1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccccc1Cl
Show InChI InChI=1S/C22H19ClN2O3S/c1-24-21(26)14-7-8-15-18(11-14)28-10-9-13-12-19(29-20(13)15)22(27)25(2)17-6-4-3-5-16(17)23/h3-8,11-12H,9-10H2,1-2H3,(H,24,26)
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1n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50347087
PNG
(CHEMBL1796273)
Show SMILES CN(C(=O)c1cc2CCOc3cc(NC(C)=O)ccc3-c2s1)c1ccccc1Cl
Show InChI InChI=1S/C22H19ClN2O3S/c1-13(26)24-15-7-8-16-19(12-15)28-10-9-14-11-20(29-21(14)16)22(27)25(2)18-6-4-3-5-17(18)23/h3-8,11-12H,9-10H2,1-2H3,(H,24,26)
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1n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419769
PNG
(CHEMBL1950034)
Show SMILES CN(C(=O)c1cc2CCOc3ccc(cc3-c2s1)C(N)=O)c1ccccc1Cl
Show InChI InChI=1S/C21H17ClN2O3S/c1-24(16-5-3-2-4-15(16)22)21(26)18-11-12-8-9-27-17-7-6-13(20(23)25)10-14(17)19(12)28-18/h2-7,10-11H,8-9H2,1H3,(H2,23,25)
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1n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419761
PNG
(CHEMBL1949919)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc2c(nc(nc2s1)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C21H20N6O3S2/c1-32(28,29)15-4-2-3-13(9-15)17-10-16-19(27-5-7-30-8-6-27)25-18(26-20(16)31-17)14-11-23-21(22)24-12-14/h2-4,9-12H,5-8H2,1H3,(H2,22,23,24)
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1n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419754
PNG
(CHEMBL1949910)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(nc3s2)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C20H26N8O3S2/c1-33(29,30)28-4-2-26(3-5-28)13-15-10-16-18(27-6-8-31-9-7-27)24-17(25-19(16)32-15)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23)
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1n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419770
PNG
(CHEMBL1950035)
Show SMILES CCNC(=O)c1ccc2OCCc3cc(sc3-c2c1)C(=O)N(C)c1ccccc1Cl
Show InChI InChI=1S/C23H21ClN2O3S/c1-3-25-22(27)15-8-9-19-16(12-15)21-14(10-11-29-19)13-20(30-21)23(28)26(2)18-7-5-4-6-17(18)24/h4-9,12-13H,3,10-11H2,1-2H3,(H,25,27)
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1n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415362
PNG
(CHEMBL601857)
Show SMILES Cc1ncc(-c2cc(Cl)cc(c2)-c2nnc(CC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)o2)n1C
Show InChI InChI=1S/C26H25ClN8O3/c1-15-29-14-21(33(15)2)16-10-17(12-18(27)11-16)25-32-31-22(38-25)13-23(36)34-8-5-19(6-9-34)35-20-4-3-7-28-24(20)30-26(35)37/h3-4,7,10-12,14,19H,5-6,8-9,13H2,1-2H3,(H,28,30,37)
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419758
PNG
(CHEMBL1949914)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cc(CC3CCN(CC(F)(F)F)CC3)sc2n1
Show InChI InChI=1S/C22H26F3N7OS/c23-22(24,25)13-31-3-1-14(2-4-31)9-16-10-17-19(32-5-7-33-8-6-32)29-18(30-20(17)34-16)15-11-27-21(26)28-12-15/h10-12,14H,1-9,13H2,(H2,26,27,28)
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419760
PNG
(CHEMBL1949918)
Show SMILES CN(C)C(=O)N1CCN(Cc2cc3c(nc(nc3s2)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C22H29N9O2S/c1-28(2)22(32)31-5-3-29(4-6-31)14-16-11-17-19(30-7-9-33-10-8-30)26-18(27-20(17)34-16)15-12-24-21(23)25-13-15/h11-13H,3-10,14H2,1-2H3,(H2,23,24,25)
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419773
PNG
(CHEMBL1949917)
Show SMILES CN(Cc1cc2c(nc(nc2s1)-c1cnc(N)nc1)N1CCOCC1)S(C)(=O)=O
Show InChI InChI=1S/C17H21N7O3S2/c1-23(29(2,25)26)10-12-7-13-15(24-3-5-27-6-4-24)21-14(22-16(13)28-12)11-8-19-17(18)20-9-11/h7-9H,3-6,10H2,1-2H3,(H2,18,19,20)
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50347076
PNG
(CHEMBL1796761)
Show SMILES CNC(=O)c1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccc(cc1Cl)C(=O)N(C)C
Show InChI InChI=1S/C25H24ClN3O4S/c1-27-23(30)15-5-7-17-20(12-15)33-10-9-14-13-21(34-22(14)17)25(32)29(4)19-8-6-16(11-18(19)26)24(31)28(2)3/h5-8,11-13H,9-10H2,1-4H3,(H,27,30)
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415365
PNG
(CHEMBL609757)
Show SMILES Cc1ccc(cn1)-c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1
Show InChI InChI=1S/C27H24ClN7O3/c1-16-4-5-17(15-30-16)18-11-19(13-20(28)12-18)26-33-32-23(38-26)14-24(36)34-9-6-21(7-10-34)35-22-3-2-8-29-25(22)31-27(35)37/h2-5,8,11-13,15,21H,6-7,9-10,14H2,1H3,(H,29,31,37)
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415354
PNG
(CHEMBL600836)
Show SMILES Clc1cc(cc(c1)-c1ccccc1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1
Show InChI InChI=1S/C27H23ClN6O3/c28-20-14-18(17-5-2-1-3-6-17)13-19(15-20)26-32-31-23(37-26)16-24(35)33-11-8-21(9-12-33)34-22-7-4-10-29-25(22)30-27(34)36/h1-7,10,13-15,21H,8-9,11-12,16H2,(H,29,30,36)
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50259548
PNG
(6-(5'-chloro-2'-isobutoxy-biphenyl-2-yl)-pyridine-...)
Show SMILES CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(n1)C([O-])=O
Show InChI InChI=1S/C22H20ClNO3/c1-14(2)13-27-21-11-10-15(23)12-18(21)16-6-3-4-7-17(16)19-8-5-9-20(24-19)22(25)26/h3-12,14H,13H2,1-2H3,(H,25,26)/p-1
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from EP1 receptor


Bioorg Med Chem Lett 19: 497-501 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.032
BindingDB Entry DOI: 10.7270/Q2N879N5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50363991
PNG
(CHEMBL1796763)
Show SMILES CNC(=O)c1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1cc(ccc1Cl)C(=O)N(C)C
Show InChI InChI=1S/C25H24ClN3O4S/c1-27-23(30)15-5-7-17-20(12-15)33-10-9-14-13-21(34-22(14)17)25(32)29(4)19-11-16(6-8-18(19)26)24(31)28(2)3/h5-8,11-13H,9-10H2,1-4H3,(H,27,30)
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3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419771
PNG
(CHEMBL1950036)
Show SMILES CN(C(=O)c1cc2CCOc3ccc(cc3-c2s1)C#N)c1ccccc1Cl
Show InChI InChI=1S/C21H15ClN2O2S/c1-24(17-5-3-2-4-16(17)22)21(25)19-11-14-8-9-26-18-7-6-13(12-23)10-15(18)20(14)27-19/h2-7,10-11H,8-9H2,1H3
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3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419762
PNG
(CHEMBL1949920)
Show SMILES CN(C(=O)c1cc2CCOc3cc(ccc3-c2s1)-c1cc[nH]n1)c1ccccc1Cl
Show InChI InChI=1S/C23H18ClN3O2S/c1-27(19-5-3-2-4-17(19)24)23(28)21-13-15-9-11-29-20-12-14(18-8-10-25-26-18)6-7-16(20)22(15)30-21/h2-8,10,12-13H,9,11H2,1H3,(H,25,26)
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3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415360
PNG
(CHEMBL610062)
Show SMILES CCN1CCC(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1
Show InChI InChI=1S/C28H32ClN7O3/c1-2-34-10-5-18(6-11-34)19-14-20(16-21(29)15-19)27-33-32-24(39-27)17-25(37)35-12-7-22(8-13-35)36-23-4-3-9-30-26(23)31-28(36)38/h3-4,9,14-16,18,22H,2,5-8,10-13,17H2,1H3,(H,30,31,38)
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3.16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415361
PNG
(CHEMBL592649)
Show SMILES FC(F)CN1CCC(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1
Show InChI InChI=1S/C28H30ClF2N7O3/c29-20-13-18(17-3-8-36(9-4-17)16-23(30)31)12-19(14-20)27-35-34-24(41-27)15-25(39)37-10-5-21(6-11-37)38-22-2-1-7-32-26(22)33-28(38)40/h1-2,7,12-14,17,21,23H,3-6,8-11,15-16H2,(H,32,33,40)
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415359
PNG
(CHEMBL601854)
Show SMILES CN1CCC(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1
Show InChI InChI=1S/C27H30ClN7O3/c1-33-9-4-17(5-10-33)18-13-19(15-20(28)14-18)26-32-31-23(38-26)16-24(36)34-11-6-21(7-12-34)35-22-3-2-8-29-25(22)30-27(35)37/h2-3,8,13-15,17,21H,4-7,9-12,16H2,1H3,(H,29,30,37)
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415352
PNG
(CHEMBL600636)
Show SMILES FC(F)(F)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1
Show InChI InChI=1S/C22H18ClF3N6O3/c23-14-9-12(8-13(10-14)22(24,25)26)20-30-29-17(35-20)11-18(33)31-6-3-15(4-7-31)32-16-2-1-5-27-19(16)28-21(32)34/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,27,28,34)
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419765
PNG
(CHEMBL1949923)
Show SMILES CNCc1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O2S/c1-24-13-14-7-8-16-19(11-14)27-10-9-15-12-20(28-21(15)16)22(26)25(2)18-6-4-3-5-17(18)23/h3-8,11-12,24H,9-10,13H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419766
PNG
(CHEMBL1949924)
Show SMILES CN(C(=O)c1cc2CCOc3cc(ccc3-c2s1)C(=O)NCCN)c1ccccc1Cl
Show InChI InChI=1S/C23H22ClN3O3S/c1-27(18-5-3-2-4-17(18)24)23(29)20-13-14-8-11-30-19-12-15(22(28)26-10-9-25)6-7-16(19)21(14)31-20/h2-7,12-13H,8-11,25H2,1H3,(H,26,28)
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4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419764
PNG
(CHEMBL1949922)
Show SMILES CCNC(=O)c1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccccc1Cl
Show InChI InChI=1S/C23H21ClN2O3S/c1-3-25-22(27)15-8-9-16-19(12-15)29-11-10-14-13-20(30-21(14)16)23(28)26(2)18-7-5-4-6-17(18)24/h4-9,12-13H,3,10-11H2,1-2H3,(H,25,27)
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4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419757
PNG
(CHEMBL1949913)
Show SMILES CN1CCN(Cc2cc3c(nc(nc3s2)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C20H26N8OS/c1-26-2-4-27(5-3-26)13-15-10-16-18(28-6-8-29-9-7-28)24-17(25-19(16)30-15)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23)
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5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419772
PNG
(CHEMBL1950037)
Show SMILES CNC(=O)c1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccc(cc1Cl)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C28H29ClN4O4S/c1-30-26(34)18-4-6-20-23(15-18)37-13-8-17-16-24(38-25(17)20)28(36)32(3)22-7-5-19(14-21(22)29)27(35)33-11-9-31(2)10-12-33/h4-7,14-16H,8-13H2,1-3H3,(H,30,34)
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5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415363
PNG
(CHEMBL605579)
Show SMILES CN(C)CCOc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1
Show InChI InChI=1S/C25H28ClN7O4/c1-31(2)10-11-36-19-13-16(12-17(26)14-19)24-30-29-21(37-24)15-22(34)32-8-5-18(6-9-32)33-20-4-3-7-27-23(20)28-25(33)35/h3-4,7,12-14,18H,5-6,8-11,15H2,1-2H3,(H,27,28,35)
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5.01n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415358
PNG
(CHEMBL601639)
Show SMILES CN1CCN(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1
Show InChI InChI=1S/C26H29ClN8O3/c1-32-9-11-33(12-10-32)20-14-17(13-18(27)15-20)25-31-30-22(38-25)16-23(36)34-7-4-19(5-8-34)35-21-3-2-6-28-24(21)29-26(35)37/h2-3,6,13-15,19H,4-5,7-12,16H2,1H3,(H,28,29,37)
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5.01n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415355
PNG
(CHEMBL600837)
Show SMILES Clc1cc(cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1)N1CCOCC1
Show InChI InChI=1S/C25H26ClN7O4/c26-17-12-16(13-19(14-17)31-8-10-36-11-9-31)24-30-29-21(37-24)15-22(34)32-6-3-18(4-7-32)33-20-2-1-5-27-23(20)28-25(33)35/h1-2,5,12-14,18H,3-4,6-11,15H2,(H,27,28,35)
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6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415356
PNG
(CHEMBL609472)
Show SMILES Cc1cc(cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1)N1CCOCC1
Show InChI InChI=1S/C26H29N7O4/c1-17-13-18(15-20(14-17)31-9-11-36-12-10-31)25-30-29-22(37-25)16-23(34)32-7-4-19(5-8-32)33-21-3-2-6-27-24(21)28-26(33)35/h2-3,6,13-15,19H,4-5,7-12,16H2,1H3,(H,27,28,35)
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6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50419757
PNG
(CHEMBL1949913)
Show SMILES CN1CCN(Cc2cc3c(nc(nc3s2)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C20H26N8OS/c1-26-2-4-27(5-3-26)13-15-10-16-18(28-6-8-29-9-7-28)24-17(25-19(16)30-15)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23)
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7n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415353
PNG
(CHEMBL604949)
Show SMILES COc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1
Show InChI InChI=1S/C22H21ClN6O4/c1-32-16-10-13(9-14(23)11-16)21-27-26-18(33-21)12-19(30)28-7-4-15(5-8-28)29-17-3-2-6-24-20(17)25-22(29)31/h2-3,6,9-11,15H,4-5,7-8,12H2,1H3,(H,24,25,31)
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50259611
PNG
(CHEMBL467114 | sodium 6-(5-chloro-2-(4-chloro-2-fl...)
Show SMILES [O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
Show InChI InChI=1S/C20H14Cl2FNO3/c21-14-6-7-19(27-11-12-4-5-15(22)10-17(12)23)13(8-14)9-16-2-1-3-18(24-16)20(25)26/h1-8,10H,9,11H2,(H,25,26)/p-1
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant EP1 receptor expressed in CHO cells assessed as inhibition of PGE2-mediated intracellular calcium mobilizati...


Bioorg Med Chem Lett 19: 2599-603 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.112
BindingDB Entry DOI: 10.7270/Q2HT2P68
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419756
PNG
(CHEMBL1949912)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccsc2n1
Show InChI InChI=1S/C14H14N6OS/c15-14-16-7-9(8-17-14)11-18-12(20-2-4-21-5-3-20)10-1-6-22-13(10)19-11/h1,6-8H,2-5H2,(H2,15,16,17)
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9n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50259611
PNG
(CHEMBL467114 | sodium 6-(5-chloro-2-(4-chloro-2-fl...)
Show SMILES [O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
Show InChI InChI=1S/C20H14Cl2FNO3/c21-14-6-7-19(27-11-12-4-5-15(22)10-17(12)23)13(8-14)9-16-2-1-3-18(24-16)20(25)26/h1-8,10H,9,11H2,(H,25,26)/p-1
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TP receptor


Bioorg Med Chem Lett 19: 2599-603 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.112
BindingDB Entry DOI: 10.7270/Q2HT2P68
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419763
PNG
(CHEMBL1949921)
Show SMILES CN(C(=O)c1cc2CCOc3cc(ccc3-c2s1)C#N)c1ccccc1Cl
Show InChI InChI=1S/C21H15ClN2O2S/c1-24(17-5-3-2-4-16(17)22)21(25)19-11-14-8-9-26-18-10-13(12-23)6-7-15(18)20(14)27-19/h2-7,10-11H,8-9H2,1H3
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11n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415364
PNG
(CHEMBL602475)
Show SMILES CN(C)CCOc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)o1
Show InChI InChI=1S/C28H33ClN6O4/c1-33(2)13-14-38-23-16-20(15-21(29)17-23)27-32-31-25(39-27)18-26(36)34-10-8-22(9-11-34)35-12-7-19-5-3-4-6-24(19)30-28(35)37/h3-6,15-17,22H,7-14,18H2,1-2H3,(H,30,37)
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415351
PNG
(CHEMBL601246)
Show SMILES Clc1cc(Br)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1
Show InChI InChI=1S/C21H18BrClN6O3/c22-13-8-12(9-14(23)10-13)20-27-26-17(32-20)11-18(30)28-6-3-15(4-7-28)29-16-2-1-5-24-19(16)25-21(29)31/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,24,25,31)
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415360
PNG
(CHEMBL610062)
Show SMILES CCN1CCC(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1
Show InChI InChI=1S/C28H32ClN7O3/c1-2-34-10-5-18(6-11-34)19-14-20(16-21(29)15-19)27-33-32-24(39-27)17-25(37)35-12-7-22(8-13-35)36-23-4-3-9-30-26(23)31-28(36)38/h3-4,9,14-16,18,22H,2,5-8,10-13,17H2,1H3,(H,30,31,38)
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15.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415346
PNG
(CHEMBL602085)
Show SMILES Clc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1
Show InChI InChI=1S/C21H18Cl2N6O3/c22-13-8-12(9-14(23)10-13)20-27-26-17(32-20)11-18(30)28-6-3-15(4-7-28)29-16-2-1-5-24-19(16)25-21(29)31/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,24,25,31)
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15.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415364
PNG
(CHEMBL602475)
Show SMILES CN(C)CCOc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)o1
Show InChI InChI=1S/C28H33ClN6O4/c1-33(2)13-14-38-23-16-20(15-21(29)17-23)27-32-31-25(39-27)18-26(36)34-10-8-22(9-11-34)35-12-7-19-5-3-4-6-24(19)30-28(35)37/h3-6,15-17,22H,7-14,18H2,1-2H3,(H,30,37)
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15.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50347085
PNG
(CHEMBL1796271)
Show SMILES CN(C(=O)c1cc2CCOc3ccccc3-c2s1)c1ccccc1Cl
Show InChI InChI=1S/C20H16ClNO2S/c1-22(16-8-4-3-7-15(16)21)20(23)18-12-13-10-11-24-17-9-5-2-6-14(17)19(13)25-18/h2-9,12H,10-11H2,1H3
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16n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50419758
PNG
(CHEMBL1949914)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cc(CC3CCN(CC(F)(F)F)CC3)sc2n1
Show InChI InChI=1S/C22H26F3N7OS/c23-22(24,25)13-31-3-1-14(2-4-31)9-16-10-17-19(32-5-7-33-8-6-32)29-18(30-20(17)34-16)15-11-27-21(26)28-12-15/h10-12,14H,1-9,13H2,(H2,26,27,28)
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18n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50347076
PNG
(CHEMBL1796761)
Show SMILES CNC(=O)c1ccc2-c3sc(cc3CCOc2c1)C(=O)N(C)c1ccc(cc1Cl)C(=O)N(C)C
Show InChI InChI=1S/C25H24ClN3O4S/c1-27-23(30)15-5-7-17-20(12-15)33-10-9-14-13-21(34-22(14)17)25(32)29(4)19-8-6-16(11-18(19)26)24(31)28(2)3/h5-8,11-13H,9-10H2,1-4H3,(H,27,30)
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19n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50415359
PNG
(CHEMBL601854)
Show SMILES CN1CCC(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1
Show InChI InChI=1S/C27H30ClN7O3/c1-33-9-4-17(5-10-33)18-13-19(15-20(28)14-18)26-32-31-23(38-26)16-24(36)34-11-6-21(7-12-34)35-22-3-2-8-29-25(22)30-27(35)37/h2-3,8,13-15,17,21H,4-7,9-12,16H2,1H3,(H,29,30,37)
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19.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...


Bioorg Med Chem Lett 20: 1368-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.012
BindingDB Entry DOI: 10.7270/Q23T9JG4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50419768
PNG
(CHEMBL1949926)
Show SMILES CN(C(=O)c1cc2CCOc3cc(ccc3-c2s1)-c1cccc(CN)c1)c1ccccc1Cl
Show InChI InChI=1S/C27H23ClN2O2S/c1-30(23-8-3-2-7-22(23)28)27(31)25-15-20-11-12-32-24-14-19(9-10-21(24)26(20)33-25)18-6-4-5-17(13-18)16-29/h2-10,13-15H,11-12,16,29H2,1H3
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23n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
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