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PubMed code 12639574

Compile data set for download or QSAR
Found 21 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
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50125101
PNG
(Biphenyl-2-carboxylic acid [4-(1,3,4,5-tetrahydro-...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCc2c[nH]c3cccc1c23)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C31H25N3O2/c35-30(26-12-5-4-11-25(26)21-8-2-1-3-9-21)33-24-17-15-22(16-18-24)31(36)34-19-7-10-23-20-32-27-13-6-14-28(34)29(23)27/h1-6,8-9,11-18,20,32H,7,10,19H2,(H,33,35)
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n/an/a 1n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity towards V2 receptor

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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n/an/a 5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptors expressed in HEK-293 cells

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50125112
PNG
(Biphenyl-2-carboxylic acid [4-(2-oxo-1,2,2a,3,4,5-...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCC2C(=O)Nc3cccc1c23)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C31H25N3O3/c35-29(24-11-5-4-10-23(24)20-8-2-1-3-9-20)32-22-17-15-21(16-18-22)31(37)34-19-7-12-25-28-26(33-30(25)36)13-6-14-27(28)34/h1-6,8-11,13-18,25H,7,12,19H2,(H,32,35)(H,33,36)
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptors expressed in HEK-293 cells

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50125103
PNG
(4'-Methyl-biphenyl-2-carboxylic acid [4-(1,3,4,5-t...)
Show SMILES Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCc2c[nH]c3cccc1c23
Show InChI InChI=1S/C32H27N3O2/c1-21-11-13-22(14-12-21)26-7-2-3-8-27(26)31(36)34-25-17-15-23(16-18-25)32(37)35-19-5-6-24-20-33-28-9-4-10-29(35)30(24)28/h2-4,7-18,20,33H,5-6,19H2,1H3,(H,34,36)
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n/an/a 11n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptors expressed in HEK-293 cells

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50125107
PNG
(6-{4-[(Biphenyl-2-carbonyl)-amino]-3-chloro-benzoy...)
Show SMILES OS(=O)(=O)c1[nH]c2cccc3N(CCCc1c23)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C31H24ClN3O5S/c32-24-18-20(15-16-25(24)33-29(36)22-11-5-4-10-21(22)19-8-2-1-3-9-19)31(37)35-17-7-12-23-28-26(13-6-14-27(28)35)34-30(23)41(38,39)40/h1-6,8-11,13-16,18,34H,7,12,17H2,(H,33,36)(H,38,39,40)
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptors expressed in HEK-293 cells

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50125108
PNG
(6-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-3,4,5,...)
Show SMILES OS(=O)(=O)c1[nH]c2cccc3N(CCCc1c23)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C31H25N3O5S/c35-29(24-11-5-4-10-23(24)20-8-2-1-3-9-20)32-22-17-15-21(16-18-22)31(36)34-19-7-12-25-28-26(13-6-14-27(28)34)33-30(25)40(37,38)39/h1-6,8-11,13-18,33H,7,12,19H2,(H,32,35)(H,37,38,39)
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptors expressed in HEK-293 cells

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50125106
PNG
(Biphenyl-2-carboxylic acid [2-chloro-4-(1,3,4,5-te...)
Show SMILES Clc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCc2c[nH]c3cccc1c23
Show InChI InChI=1S/C31H24ClN3O2/c32-25-18-21(31(37)35-17-7-10-22-19-33-27-13-6-14-28(35)29(22)27)15-16-26(25)34-30(36)24-12-5-4-11-23(24)20-8-2-1-3-9-20/h1-6,8-9,11-16,18-19,33H,7,10,17H2,(H,34,36)
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptors expressed in HEK-293 cells

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50125101
PNG
(Biphenyl-2-carboxylic acid [4-(1,3,4,5-tetrahydro-...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCc2c[nH]c3cccc1c23)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C31H25N3O2/c35-30(26-12-5-4-11-25(26)21-8-2-1-3-9-21)33-24-17-15-22(16-18-24)31(36)34-19-7-10-23-20-32-27-13-6-14-28(34)29(23)27/h1-6,8-9,11-18,20,32H,7,10,19H2,(H,33,35)
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptors expressed in HEK-293 cells

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50125105
PNG
(Biphenyl-2-carboxylic acid [4-(2-chloro-1,3,4,5-te...)
Show SMILES Clc1[nH]c2cccc3N(CCCc1c23)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C31H24ClN3O2/c32-29-25-12-7-19-35(27-14-6-13-26(34-29)28(25)27)31(37)21-15-17-22(18-16-21)33-30(36)24-11-5-4-10-23(24)20-8-2-1-3-9-20/h1-6,8-11,13-18,34H,7,12,19H2,(H,33,36)
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptors expressed in HEK-293 cells

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50125100
PNG
(Biphenyl-2-carboxylic acid [3-chloro-4-(1,3,4,5-te...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCc2c[nH]c3cccc1c23
Show InChI InChI=1S/C31H24ClN3O2/c32-26-18-22(34-30(36)24-12-5-4-11-23(24)20-8-2-1-3-9-20)15-16-25(26)31(37)35-17-7-10-21-19-33-27-13-6-14-28(35)29(21)27/h1-6,8-9,11-16,18-19,33H,7,10,17H2,(H,34,36)
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the human V2 receptor was assessed by the accumulation of cAMP in transfected HEK-293 cells.

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50125101
PNG
(Biphenyl-2-carboxylic acid [4-(1,3,4,5-tetrahydro-...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCc2c[nH]c3cccc1c23)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C31H25N3O2/c35-30(26-12-5-4-11-25(26)21-8-2-1-3-9-21)33-24-17-15-22(16-18-24)31(36)34-19-7-10-23-20-32-27-13-6-14-28(34)29(23)27/h1-6,8-9,11-18,20,32H,7,10,19H2,(H,33,35)
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the human V2 receptor was assessed by the accumulation of cAMP in transfected HEK-293 cells.

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50125103
PNG
(4'-Methyl-biphenyl-2-carboxylic acid [4-(1,3,4,5-t...)
Show SMILES Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCc2c[nH]c3cccc1c23
Show InChI InChI=1S/C32H27N3O2/c1-21-11-13-22(14-12-21)26-7-2-3-8-27(26)31(36)34-25-17-15-23(16-18-25)32(37)35-19-5-6-24-20-33-28-9-4-10-29(35)30(24)28/h2-4,7-18,20,33H,5-6,19H2,1H3,(H,34,36)
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the human V2 receptor was assessed by the accumulation of cAMP in transfected HEK-293 cells.

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the human V2 receptor was assessed by the accumulation of cAMP in transfected HEK-293 cells.

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity towards human V1a receptors

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50125111
PNG
(4'-Methyl-biphenyl-2-carboxylic acid [4-(1-acetyl-...)
Show SMILES CC(=O)n1cc2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccc(C)cc4)cc3)c3cccc1c23
Show InChI InChI=1S/C34H29N3O3/c1-22-12-14-24(15-13-22)28-8-3-4-9-29(28)33(39)35-27-18-16-25(17-19-27)34(40)36-20-6-7-26-21-37(23(2)38)31-11-5-10-30(36)32(26)31/h3-5,8-19,21H,6-7,20H2,1-2H3,(H,35,39)
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptors expressed in HEK-293 cells

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50125102
PNG
(3-Fluoro-2-methyl-N-[4-(1,3,4,5-tetrahydro-azepino...)
Show SMILES Cc1c(F)cccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCc2c[nH]c3cccc1c23
Show InChI InChI=1S/C26H22FN3O2/c1-16-20(6-2-7-21(16)27)25(31)29-19-12-10-17(11-13-19)26(32)30-14-4-5-18-15-28-22-8-3-9-23(30)24(18)22/h2-3,6-13,15,28H,4-5,14H2,1H3,(H,29,31)
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptors expressed in HEK-293 cells

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50125110
PNG
(5-Fluoro-2-methyl-N-[4-(1,3,4,5-tetrahydro-azepino...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCCc2c[nH]c3cccc1c23
Show InChI InChI=1S/C26H22FN3O2/c1-16-7-10-19(27)14-21(16)25(31)29-20-11-8-17(9-12-20)26(32)30-13-3-4-18-15-28-22-5-2-6-23(30)24(18)22/h2,5-12,14-15,28H,3-4,13H2,1H3,(H,29,31)
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptors expressed in HEK-293 cells

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50125104
PNG
(4'-Methyl-biphenyl-2-carboxylic acid [4-(1-methyl-...)
Show SMILES Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCc2cn(C)c3cccc1c23
Show InChI InChI=1S/C33H29N3O2/c1-22-12-14-23(15-13-22)27-8-3-4-9-28(27)32(37)34-26-18-16-24(17-19-26)33(38)36-20-6-7-25-21-35(2)29-10-5-11-30(36)31(25)29/h3-5,8-19,21H,6-7,20H2,1-2H3,(H,34,37)
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptors expressed in HEK-293 cells

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50125100
PNG
(Biphenyl-2-carboxylic acid [3-chloro-4-(1,3,4,5-te...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCc2c[nH]c3cccc1c23
Show InChI InChI=1S/C31H24ClN3O2/c32-26-18-22(34-30(36)24-12-5-4-11-23(24)20-8-2-1-3-9-20)15-16-25(26)31(37)35-17-7-10-21-19-33-27-13-6-14-28(35)29(21)27/h1-6,8-9,11-16,18-19,33H,7,10,17H2,(H,34,36)
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n/an/a 330n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the human V2 receptor was assessed by the accumulation of cAMP in transfected HEK-293 cells.

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50125109
PNG
((6-{4-[(4'-Methyl-biphenyl-2-carbonyl)-amino]-benz...)
Show SMILES CCOC(=O)Cn1cc2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccc(C)cc4)cc3)c3cccc1c23
Show InChI InChI=1S/C36H33N3O4/c1-3-43-33(40)23-38-22-27-8-7-21-39(32-12-6-11-31(38)34(27)32)36(42)26-17-19-28(20-18-26)37-35(41)30-10-5-4-9-29(30)25-15-13-24(2)14-16-25/h4-6,9-20,22H,3,7-8,21,23H2,1-2H3,(H,37,41)
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UniChem

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n/an/a 550n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptors expressed in HEK-293 cells

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50125101
PNG
(Biphenyl-2-carboxylic acid [4-(1,3,4,5-tetrahydro-...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCc2c[nH]c3cccc1c23)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C31H25N3O2/c35-30(26-12-5-4-11-25(26)21-8-2-1-3-9-21)33-24-17-15-22(16-18-24)31(36)34-19-7-10-23-20-32-27-13-6-14-28(34)29(23)27/h1-6,8-9,11-18,20,32H,7,10,19H2,(H,33,35)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity towards VIa receptor

Bioorg Med Chem Lett 13: 753-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DZ07PV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%