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Compile Data Set for Download or QSAR

Found 22270 hits with Last Name = 'hu' and Initial = 'z'   
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
Coagulation factor X


(Homo sapiens (Human))		BDBM50377655
PNG
(CHEMBL260160)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1F)-n1ccccc1=O
Show InChI InChI=1S/C25H17Cl2FN4O4/c1-36-20-11-15(27)10-18(25(35)30-21-8-5-14(26)13-29-21)23(20)31-24(34)17-7-6-16(12-19(17)28)32-9-3-2-4-22(32)33/h2-13H,1H3,(H,31,34)(H,29,30,35)
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 0.00500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem Lett 18: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50154364
PNG
((6R,10bS)-6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10...)
Show SMILES CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m1/s1
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 0.00900n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter expresed in LCK PK1 cells

J Med Chem 47: 5258-64 (2004)


Article DOI: 10.1021/jm049917p
BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50110577
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1N
Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3
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 0.0100n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter expresed in LCK PK1 cells

J Med Chem 47: 5258-64 (2004)


Article DOI: 10.1021/jm049917p
BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50162774
PNG
(ABT-199 | US11420968, Example ABT-199 | Venetoclax)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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<0.0100n/an/an/an/an/an/an/an/a



Tsinghua University

Curated by ChEMBL


Assay Description
Inhibition of Bcl2 (unknown origin)

Eur J Med Chem 177: 63-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.019
BindingDB Entry DOI: 10.7270/Q2R78JMK
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM484541
PNG
(US10934294, Example 62 | US11028092, Example 63)
Show SMILES CCc1cnc(nc1)C1CCC1c1nc2n(nc(C#N)c2c(=O)[nH]1)[C@@H](C)c1ccc(nc1)C(F)(F)F |r|
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 0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assays for PDE 1 through 11 were performed in parallel at room temperature in 384-well microtiter plates with an incubation volume of 20.2 μL. S...

US Patent US11028092 (2021)


BindingDB Entry DOI: 10.7270/Q2XS5ZH4
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM484529
PNG
(US10934294, Example 50 | US10934294, Example 51 | ...)
Show SMILES CC(c1ccc(nc1)C1CC1)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
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 0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assays for PDE 1 through 11 were performed in parallel at room temperature in 384-well microtiter plates with an incubation volume of 20.2 μL. S...

US Patent US11028092 (2021)


BindingDB Entry DOI: 10.7270/Q2XS5ZH4
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))		BDBM484529
PNG
(US10934294, Example 50 | US10934294, Example 51 | ...)
Show SMILES CC(c1ccc(nc1)C1CC1)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
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 0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...

US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))		BDBM484541
PNG
(US10934294, Example 62 | US11028092, Example 63)
Show SMILES CCc1cnc(nc1)C1CCC1c1nc2n(nc(C#N)c2c(=O)[nH]1)[C@@H](C)c1ccc(nc1)C(F)(F)F |r|
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 0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...

US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))		BDBM484570
PNG
(US10934294, Example 91 | US10934294, Example 92 | ...)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncc(cn1)C1CC1 |r|
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 0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...

US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))		BDBM50162797
PNG
(CHEMBL3793424)
Show SMILES Cc1c(cnn1CC12CC3CC(CC(C3)C1)C2)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |TLB:14:9:16:12.13.15,14:13:16:10.9.8,THB:12:11:8:14.13.15,12:13:10.11.16:8|
Show InChI InChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)
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<0.0100n/an/an/an/an/an/an/an/a



Tsinghua University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-xL (unknown origin)

Eur J Med Chem 177: 63-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.019
BindingDB Entry DOI: 10.7270/Q2R78JMK
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))		BDBM484497
PNG
(US10934294, Example 19 | US10934294, Example 20 | ...)
Show SMILES CC(c1ccc(cc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
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 0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...

US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM484570
PNG
(US10934294, Example 91 | US10934294, Example 92 | ...)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncc(cn1)C1CC1 |r|
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 0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assays for PDE 1 through 11 were performed in parallel at room temperature in 384-well microtiter plates with an incubation volume of 20.2 μL. S...

US Patent US11028092 (2021)


BindingDB Entry DOI: 10.7270/Q2XS5ZH4
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM484497
PNG
(US10934294, Example 19 | US10934294, Example 20 | ...)
Show SMILES CC(c1ccc(cc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncccn1
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 0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assays for PDE 1 through 11 were performed in parallel at room temperature in 384-well microtiter plates with an incubation volume of 20.2 μL. S...

US Patent US11028092 (2021)


BindingDB Entry DOI: 10.7270/Q2XS5ZH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50374877
PNG
(CHEMBL270221)
Show SMILES CN(C)CCN(C)C(=O)CN(C1CCCN(C1=O)c1ccc(cc1F)-n1ccccc1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1 |w:11.10|
Show InChI InChI=1S/C30H32ClFN6O5S2/c1-34(2)15-16-35(3)27(40)19-38(45(42,43)28-17-20-9-12-25(31)33-29(20)44-28)24-7-6-14-37(30(24)41)23-11-10-21(18-22(23)32)36-13-5-4-8-26(36)39/h4-5,8-13,17-18,24H,6-7,14-16,19H2,1-3H3
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 0.0130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem Lett 18: 2428-33 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.054
BindingDB Entry DOI: 10.7270/Q2RX9CZ8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50377635
PNG
(CHEMBL402980)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C25H18Cl2N4O4/c1-35-20-13-17(27)12-19(25(34)29-21-10-7-16(26)14-28-21)23(20)30-24(33)15-5-8-18(9-6-15)31-11-3-2-4-22(31)32/h2-14H,1H3,(H,30,33)(H,28,29,34)
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 0.0130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem Lett 18: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50374879
PNG
(CHEMBL401958)
Show SMILES CN(C)CCN(C)C(=O)CN([C@H]1CCCN(C1=O)c1ccc(cc1F)-n1ccccc1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C33H35ClFN5O5S/c1-36(2)17-18-37(3)32(42)22-40(46(44,45)27-13-10-23-19-25(34)11-9-24(23)20-27)30-7-6-16-39(33(30)43)29-14-12-26(21-28(29)35)38-15-5-4-8-31(38)41/h4-5,8-15,19-21,30H,6-7,16-18,22H2,1-3H3/t30-/m0/s1
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 0.0160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem Lett 18: 2428-33 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.054
BindingDB Entry DOI: 10.7270/Q2RX9CZ8
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM484551
PNG
(US10934294, Example 72 | US10934294, Example 73 | ...)
Show SMILES CC(c1ccc(nc1)C1CC1)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncc(F)cn1
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 0.0200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assays for PDE 1 through 11 were performed in parallel at room temperature in 384-well microtiter plates with an incubation volume of 20.2 μL. S...

US Patent US11028092 (2021)


BindingDB Entry DOI: 10.7270/Q2XS5ZH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50374878
PNG
(CHEMBL270862)
Show SMILES Fc1cc(ccc1N1CCCC(NS(=O)(=O)c2cc3ccc(Cl)nc3s2)C1=O)-n1ccccc1=O |w:11.12|
Show InChI InChI=1S/C23H18ClFN4O4S2/c24-19-9-6-14-12-21(34-22(14)26-19)35(32,33)27-17-4-3-11-29(23(17)31)18-8-7-15(13-16(18)25)28-10-2-1-5-20(28)30/h1-2,5-10,12-13,17,27H,3-4,11H2
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 0.0200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem Lett 18: 2428-33 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.054
BindingDB Entry DOI: 10.7270/Q2RX9CZ8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50374879
PNG
(CHEMBL401958)
Show SMILES CN(C)CCN(C)C(=O)CN([C@H]1CCCN(C1=O)c1ccc(cc1F)-n1ccccc1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C33H35ClFN5O5S/c1-36(2)17-18-37(3)32(42)22-40(46(44,45)27-13-10-23-19-25(34)11-9-24(23)20-27)30-7-6-16-39(33(30)43)29-14-12-26(21-28(29)35)38-15-5-4-8-31(38)41/h4-5,8-15,19-21,30H,6-7,16-18,22H2,1-3H3/t30-/m0/s1
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 0.0200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem Lett 18: 2428-33 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.054
BindingDB Entry DOI: 10.7270/Q2RX9CZ8
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))		BDBM484551
PNG
(US10934294, Example 72 | US10934294, Example 73 | ...)
Show SMILES CC(c1ccc(nc1)C1CC1)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncc(F)cn1
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 0.0200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...

US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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 0.0250n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))		BDBM50377637
PNG
(CHEMBL257398)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)-n2ccccc2=O)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C25H19ClN4O3/c1-16-5-11-21(20(14-16)25(33)29-22-12-8-18(26)15-27-22)28-24(32)17-6-9-19(10-7-17)30-13-3-2-4-23(30)31/h2-15H,1H3,(H,28,32)(H,27,29,33)
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 0.0280n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem Lett 18: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50475411
PNG
(CHEMBL197830)
Show SMILES Cc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:20:18.17|
Show InChI InChI=1S/C18H19FN2/c1-11-2-4-12(5-3-11)16-8-13(10-20-18(16)19)15-9-14-6-7-17(15)21-14/h2-5,8,10,14-15,17,21H,6-7,9H2,1H3
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 0.0280n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM484573
PNG
(US10934294, Example 94 | US11028092, Example 93)
Show SMILES C[C@@H](c1cnc(nc1)C1CC1)n1nc(C#N)c2c1nc([nH]c2=O)[C@@H]1CC[C@H]1c1ncccn1 |r|
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US Patent
 0.0300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assays for PDE 1 through 11 were performed in parallel at room temperature in 384-well microtiter plates with an incubation volume of 20.2 μL. S...

US Patent US11028092 (2021)


BindingDB Entry DOI: 10.7270/Q2XS5ZH4
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))		BDBM484572
PNG
(US10934294, Example 93)
Show SMILES C[C@@H](c1cnc(nc1)C1CC1)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@H]1c1ncccn1 |r|
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US Patent
 0.0300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...

US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50475407
PNG
(CHEMBL198228)
Show SMILES CN1C2CCC1C(C2)c1cnc(Cl)c(c1)-c1ccccc1 |TLB:0:1:6.7:4.3,THB:8:6:1:4.3|
Show InChI InChI=1S/C18H19ClN2/c1-21-14-7-8-17(21)15(10-14)13-9-16(18(19)20-11-13)12-5-3-2-4-6-12/h2-6,9,11,14-15,17H,7-8,10H2,1H3
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 0.0320n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50475410
PNG
(CHEMBL372133)
Show SMILES COc1ccc(cc1)-c1cc(cnc1Cl)C1CC2CCC1N2 |TLB:10:15:21:19.18|
Show InChI InChI=1S/C18H19ClN2O/c1-22-14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3
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 0.0340n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50475411
PNG
(CHEMBL197830)
Show SMILES Cc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:20:18.17|
Show InChI InChI=1S/C18H19FN2/c1-11-2-4-12(5-3-11)16-8-13(10-20-18(16)19)15-9-14-6-7-17(15)21-14/h2-5,8,10,14-15,17,21H,6-7,9H2,1H3
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 0.0350n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Rattus norvegicus (Rat))		BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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 0.0350n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50374876
PNG
(CHEMBL270034)
Show SMILES CNC(=O)CN(C1CCCN(C1=O)c1ccc(cc1F)-n1ccccc1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1 |w:6.5|
Show InChI InChI=1S/C26H23ClFN5O5S2/c1-29-22(34)15-33(40(37,38)24-13-16-7-10-21(27)30-25(16)39-24)20-5-4-12-32(26(20)36)19-9-8-17(14-18(19)28)31-11-3-2-6-23(31)35/h2-3,6-11,13-14,20H,4-5,12,15H2,1H3,(H,29,34)
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 0.0370n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem Lett 18: 2428-33 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.054
BindingDB Entry DOI: 10.7270/Q2RX9CZ8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50106490
PNG
(2-(6-Chloro-5-phenyl-pyridin-3-yl)-7-aza-bicyclo[2...)
Show SMILES Clc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |THB:4:13:19:17.16|
Show InChI InChI=1S/C17H17ClN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2
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 0.0370n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50171007
PNG
(4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...)
Show SMILES Fc1ncc(cc1-c1ccc(cc1)C#N)C1CC2CCC1N2 |TLB:4:15:21:19.18|
Show InChI InChI=1S/C18H16FN3/c19-18-16(12-3-1-11(9-20)2-4-12)7-13(10-21-18)15-8-14-5-6-17(15)22-14/h1-4,7,10,14-15,17,22H,5-6,8H2
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 0.0390n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50106490
PNG
(2-(6-Chloro-5-phenyl-pyridin-3-yl)-7-aza-bicyclo[2...)
Show SMILES Clc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |THB:4:13:19:17.16|
Show InChI InChI=1S/C17H17ClN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2
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 0.0390n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50475410
PNG
(CHEMBL372133)
Show SMILES COc1ccc(cc1)-c1cc(cnc1Cl)C1CC2CCC1N2 |TLB:10:15:21:19.18|
Show InChI InChI=1S/C18H19ClN2O/c1-22-14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3
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 0.0400n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))		BDBM484596
PNG
(US10934294, Example 114 | US11028092, Example 114)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@@H]1c1nccc(n1)C1CC1 |r|
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US Patent
 0.0400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...

US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))		BDBM484593
PNG
(US10934294, Example 111)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@H]1c1nccc(C)n1
Show InChI InChI=1S/C23H19F3N8O/c1-11-7-8-28-19(30-11)14-4-5-15(14)20-31-21-18(22(35)32-20)16(9-27)33-34(21)12(2)13-3-6-17(29-10-13)23(24,25)26/h3,6-8,10,12,14-15H,4-5H2,1-2H3,(H,31,32,35)/t12-,14+,15-/m0/s1
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 0.0400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...

US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM484509
PNG
(US10934294, Example 31 | US10934294, Example 32 | ...)
Show SMILES CC(c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncc(C)cn1
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 0.0400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assays for PDE 1 through 11 were performed in parallel at room temperature in 384-well microtiter plates with an incubation volume of 20.2 μL. S...

US Patent US11028092 (2021)


BindingDB Entry DOI: 10.7270/Q2XS5ZH4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM50096792
PNG
(CHEMBL3580759)
Show SMILES CN1CCN(CC1)C(=O)C[C@H](NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)c1nc(c(Cl)[nH]1)-c1ccc2[nH]c(=O)cc(O)c2c1 |r|
Show InChI InChI=1S/C30H26Cl2N10O4/c1-40-8-10-41(11-9-40)27(46)14-22(35-25(44)7-3-17-12-19(31)4-6-23(17)42-16-33-38-39-42)30-36-28(29(32)37-30)18-2-5-21-20(13-18)24(43)15-26(45)34-21/h2-7,12-13,15-16,22,43H,8-11,14H2,1H3,(H,35,44)/b7-3+,28-18-/t22-/m0/s1
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 0.0400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometry

ACS Med Chem Lett 6: 590-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00066
BindingDB Entry DOI: 10.7270/Q2B27X24
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))		BDBM484509
PNG
(US10934294, Example 31 | US10934294, Example 32 | ...)
Show SMILES CC(c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)C1CCC1c1ncc(C)cn1
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 0.0400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...

US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM502801
PNG
(US11028092, Example 111)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)[C@@H]1CC[C@H]1c1nccc(C)n1
Show InChI InChI=1S/C23H19F3N8O/c1-11-7-8-28-19(30-11)14-4-5-15(14)20-31-21-18(22(35)32-20)16(9-27)33-34(21)12(2)13-3-6-17(29-10-13)23(24,25)26/h3,6-8,10,12,14-15H,4-5H2,1-2H3,(H,31,32,35)/t12-,14+,15+/m0/s1
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 0.0400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assays for PDE 1 through 11 were performed in parallel at room temperature in 384-well microtiter plates with an incubation volume of 20.2 μL. S...

US Patent US11028092 (2021)


BindingDB Entry DOI: 10.7270/Q2XS5ZH4
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM484596
PNG
(US10934294, Example 114 | US11028092, Example 114)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@@H]1c1nccc(n1)C1CC1 |r|
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assays for PDE 1 through 11 were performed in parallel at room temperature in 384-well microtiter plates with an incubation volume of 20.2 μL. S...

US Patent US11028092 (2021)


BindingDB Entry DOI: 10.7270/Q2XS5ZH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50374871
PNG
(CHEMBL258274)
Show SMILES COC(=O)CN(C1CCCN(C1=O)c1ccc(cc1)-n1ccccc1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1 |w:6.5|
Show InChI InChI=1S/C26H23ClN4O6S2/c1-37-23(33)16-31(39(35,36)24-15-17-7-12-21(27)28-25(17)38-24)20-5-4-14-30(26(20)34)19-10-8-18(9-11-19)29-13-3-2-6-22(29)32/h2-3,6-13,15,20H,4-5,14,16H2,1H3
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 0.0430n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem Lett 18: 2428-33 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.054
BindingDB Entry DOI: 10.7270/Q2RX9CZ8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50475409
PNG
(CHEMBL197526)
Show SMILES Cc1ccc(cc1)-c1cc(cnc1Cl)C1CC2CCC1N2 |TLB:9:14:20:18.17|
Show InChI InChI=1S/C18H19ClN2/c1-11-2-4-12(5-3-11)16-8-13(10-20-18(16)19)15-9-14-6-7-17(15)21-14/h2-5,8,10,14-15,17,21H,6-7,9H2,1H3
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 0.0440n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50062262
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCN2C(c3ccc(cc3C2=O)[N+]([O-])=O)c2ccccc2)CC1
Show InChI InChI=1S/C27H28N4O4/c1-35-25-10-6-5-9-24(25)29-16-13-28(14-17-29)15-18-30-26(20-7-3-2-4-8-20)22-12-11-21(31(33)34)19-23(22)27(30)32/h2-12,19,26H,13-18H2,1H3
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 0.0450n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.

J Med Chem 41: 157-66 (1998)


Article DOI: 10.1021/jm970296s
BindingDB Entry DOI: 10.7270/Q2TX3DH6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50377629
PNG
(CHEMBL260086)
Show SMILES Oc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C24H20Cl2N4O4/c25-15-6-9-20(27-13-15)28-24(34)18-11-16(26)12-19(31)22(18)29-23(33)14-4-7-17(8-5-14)30-10-2-1-3-21(30)32/h4-9,11-13,31H,1-3,10H2,(H,29,33)(H,27,28,34)
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 0.0470n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem Lett 18: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM484591
PNG
(US10934294, Example 110 | US11028092, Example 110)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@@H]1c1nccc(C)n1
Show InChI InChI=1S/C23H19F3N8O/c1-11-7-8-28-19(30-11)14-4-5-15(14)20-31-21-18(22(35)32-20)16(9-27)33-34(21)12(2)13-3-6-17(29-10-13)23(24,25)26/h3,6-8,10,12,14-15H,4-5H2,1-2H3,(H,31,32,35)/t12-,14-,15-/m0/s1
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US Patent
 0.0500n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assays for PDE 1 through 11 were performed in parallel at room temperature in 384-well microtiter plates with an incubation volume of 20.2 μL. S...

US Patent US11028092 (2021)


BindingDB Entry DOI: 10.7270/Q2XS5ZH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50374875
PNG
(CHEMBL269955)
Show SMILES Clc1ccc2cc(sc2n1)S(=O)(=O)NC1CCCN(C1=O)c1ccc(cc1)-n1ccccc1=O |w:14.15|
Show InChI InChI=1S/C23H19ClN4O4S2/c24-19-11-6-15-14-21(33-22(15)25-19)34(31,32)26-18-4-3-13-28(23(18)30)17-9-7-16(8-10-17)27-12-2-1-5-20(27)29/h1-2,5-12,14,18,26H,3-4,13H2
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 0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem Lett 18: 2428-33 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.054
BindingDB Entry DOI: 10.7270/Q2RX9CZ8
More data for this
Ligand-Target Pair
Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))		BDBM484591
PNG
(US10934294, Example 110 | US11028092, Example 110)
Show SMILES C[C@@H](c1ccc(nc1)C(F)(F)F)n1nc(C#N)c2c1nc([nH]c2=O)[C@H]1CC[C@@H]1c1nccc(C)n1
Show InChI InChI=1S/C23H19F3N8O/c1-11-7-8-28-19(30-11)14-4-5-15(14)20-31-21-18(22(35)32-20)16(9-27)33-34(21)12(2)13-3-6-17(29-10-13)23(24,25)26/h3,6-8,10,12,14-15H,4-5H2,1-2H3,(H,31,32,35)/t12-,14-,15-/m0/s1
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US Patent
 0.0500n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence pol...

US Patent US10934294 (2021)


BindingDB Entry DOI: 10.7270/Q2C250JS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50475407
PNG
(CHEMBL198228)
Show SMILES CN1C2CCC1C(C2)c1cnc(Cl)c(c1)-c1ccccc1 |TLB:0:1:6.7:4.3,THB:8:6:1:4.3|
Show InChI InChI=1S/C18H19ClN2/c1-21-14-7-8-17(21)15(10-14)13-9-16(18(19)20-11-13)12-5-3-2-4-6-12/h2-6,9,11,14-15,17H,7-8,10H2,1H3
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 0.0530n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50328717
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-3-methoxy-2-[4-...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H22Cl2N4O4/c1-35-20-13-17(27)12-19(25(34)29-21-10-7-16(26)14-28-21)23(20)30-24(33)15-5-8-18(9-6-15)31-11-3-2-4-22(31)32/h5-10,12-14H,2-4,11H2,1H3,(H,30,33)(H,28,29,34)
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 0.0570n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a

Bioorg Med Chem Lett 18: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
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