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Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'urbanski' and Initial = 'mj'   
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


(Homo sapiens (Human))
BDBM50135413
PNG
((5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2,3,4...)
Show SMILES OC(=O)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)
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n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-arginine vasopressin in cloned human V2 receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135417
PNG
(((R)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2...)
Show SMILES OC(=O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)/t24-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced calcium immobilization in human V1a receptor expressing cells


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135420
PNG
(((S)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2...)
Show SMILES OC(=O)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)/t24-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-arginine vasopressin in cloned human V2 receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135414
PNG
(Biphenyl-2-carboxylic acid {4-[2-(2-hydroxy-ethyl)...)
Show SMILES OCCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H28N2O3S/c34-21-19-25-18-20-33(28-12-6-7-13-29(28)37-25)31(36)23-14-16-24(17-15-23)32-30(35)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25,34H,18-21H2,(H,32,35)
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-arginine vasopressin in cloned human V2 receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135419
PNG
(2-(5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2,3...)
Show SMILES OS(=O)(=O)CCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H28N2O5S2/c34-30(27-11-5-4-10-26(27)22-8-2-1-3-9-22)32-24-16-14-23(15-17-24)31(35)33-20-18-25(19-21-40(36,37)38)39-29-13-7-6-12-28(29)33/h1-17,25H,18-21H2,(H,32,34)(H,36,37,38)
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n/an/a 12n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-arginine vasopressin in cloned human V2 receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135418
PNG
(3-((S)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}...)
Show SMILES OC(=O)CC[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C32H28N2O4S/c35-30(36)19-18-25-20-21-34(28-12-6-7-13-29(28)39-25)32(38)23-14-16-24(17-15-23)33-31(37)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25H,18-21H2,(H,33,37)(H,35,36)/t25-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-arginine vasopressin in cloned human V2 receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135415
PNG
(3-((R)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}...)
Show SMILES OC(=O)CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C32H28N2O4S/c35-30(36)19-18-25-20-21-34(28-12-6-7-13-29(28)39-25)32(38)23-14-16-24(17-15-23)33-31(37)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25H,18-21H2,(H,33,37)(H,35,36)/t25-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced cAMP accumulation in human V2 receptor expressing cells


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135423
PNG
(Biphenyl-2-carboxylic acid {4-[2-(2-tetrazol-1-yl-...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCC(CCn2cnnn2)Sc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C32H28N6O2S/c39-31(28-11-5-4-10-27(28)23-8-2-1-3-9-23)34-25-16-14-24(15-17-25)32(40)38-21-19-26(18-20-37-22-33-35-36-37)41-30-13-7-6-12-29(30)38/h1-17,22,26H,18-21H2,(H,34,39)
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n/an/a 20n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-arginine vasopressin in cloned human V2 receptor at 0.2 uM


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135420
PNG
(((S)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2...)
Show SMILES OC(=O)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)/t24-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced cAMP accumulation in human V2 receptor expressing cells


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135418
PNG
(3-((S)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}...)
Show SMILES OC(=O)CC[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C32H28N2O4S/c35-30(36)19-18-25-20-21-34(28-12-6-7-13-29(28)39-25)32(38)23-14-16-24(17-15-23)33-31(37)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25H,18-21H2,(H,33,37)(H,35,36)/t25-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced calcium immobilization in human V1a receptor expressing cells


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135417
PNG
(((R)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2...)
Show SMILES OC(=O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)/t24-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced cAMP accumulation in human V2 receptor expressing cells


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135413
PNG
((5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2,3,4...)
Show SMILES OC(=O)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)
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n/an/a 40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced cAMP accumulation in human V2 receptor expressing cells


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135415
PNG
(3-((R)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}...)
Show SMILES OC(=O)CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C32H28N2O4S/c35-30(36)19-18-25-20-21-34(28-12-6-7-13-29(28)39-25)32(38)23-14-16-24(17-15-23)33-31(37)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25H,18-21H2,(H,33,37)(H,35,36)/t25-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced cAMP accumulation in human V2 receptor expressing cells


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135416
PNG
(Biphenyl-2-carboxylic acid {4-[2-(2-fluoro-ethyl)-...)
Show SMILES FCCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H27FN2O2S/c32-20-18-25-19-21-34(28-12-6-7-13-29(28)37-25)31(36)23-14-16-24(17-15-23)33-30(35)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25H,18-21H2,(H,33,35)
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n/an/a 85n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-arginine vasopressin in cloned human V2 receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50135414
PNG
(Biphenyl-2-carboxylic acid {4-[2-(2-hydroxy-ethyl)...)
Show SMILES OCCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H28N2O3S/c34-21-19-25-18-20-33(28-12-6-7-13-29(28)37-25)31(36)23-14-16-24(17-15-23)32-30(35)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25,34H,18-21H2,(H,32,35)
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n/an/a 97n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035963
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES NCCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C19H17F6N5OS/c20-18(21,22)12-5-3-4-11(8-12)14-10-32-17(29-14)30-15(19(23,24)25)13(9-28-30)16(31)27-7-2-1-6-26/h3-5,8-10H,1-2,6-7,26H2,(H,27,31)
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n/an/a 100n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of collagen-induced platelet aggregation


J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135422
PNG
(Biphenyl-2-carboxylic acid {4-[2-(2,2-difluoro-eth...)
Show SMILES FC(F)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26F2N2O2S/c32-29(33)20-24-18-19-35(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)34-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24,29H,18-20H2,(H,34,36)
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n/an/a 100n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-arginine vasopressin in cloned human V2 receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135414
PNG
(Biphenyl-2-carboxylic acid {4-[2-(2-hydroxy-ethyl)...)
Show SMILES OCCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H28N2O3S/c34-21-19-25-18-20-33(28-12-6-7-13-29(28)37-25)31(36)23-14-16-24(17-15-23)32-30(35)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25,34H,18-21H2,(H,32,35)
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n/an/a 100n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced calcium immobilization in human V1a receptor expressing cells


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50135418
PNG
(3-((S)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}...)
Show SMILES OC(=O)CC[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C32H28N2O4S/c35-30(36)19-18-25-20-21-34(28-12-6-7-13-29(28)39-25)32(38)23-14-16-24(17-15-23)33-31(37)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25H,18-21H2,(H,33,37)(H,35,36)/t25-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50135414
PNG
(Biphenyl-2-carboxylic acid {4-[2-(2-hydroxy-ethyl)...)
Show SMILES OCCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H28N2O3S/c34-21-19-25-18-20-33(28-12-6-7-13-29(28)37-25)31(36)23-14-16-24(17-15-23)32-30(35)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25,34H,18-21H2,(H,32,35)
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n/an/a 150n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-arginine vasopressin in cloned human V2 receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50135422
PNG
(Biphenyl-2-carboxylic acid {4-[2-(2,2-difluoro-eth...)
Show SMILES FC(F)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26F2N2O2S/c32-29(33)20-24-18-19-35(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)34-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24,29H,18-20H2,(H,34,36)
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n/an/a 160n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50135416
PNG
(Biphenyl-2-carboxylic acid {4-[2-(2-fluoro-ethyl)-...)
Show SMILES FCCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H27FN2O2S/c32-20-18-25-19-21-34(28-12-6-7-13-29(28)37-25)31(36)23-14-16-24(17-15-23)33-30(35)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25H,18-21H2,(H,33,35)
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n/an/a 180n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50135415
PNG
(3-((R)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}...)
Show SMILES OC(=O)CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C32H28N2O4S/c35-30(36)19-18-25-20-21-34(28-12-6-7-13-29(28)39-25)32(38)23-14-16-24(17-15-23)33-31(37)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25H,18-21H2,(H,33,37)(H,35,36)/t25-/m1/s1
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n/an/a 314n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035955
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C22H23F6N5OS/c1-3-32(4-2)10-6-9-29-19(34)16-12-30-33(18(16)22(26,27)28)20-31-17(13-35-20)14-7-5-8-15(11-14)21(23,24)25/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3,(H,29,34)
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n/an/a 400n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of arachidonic acid-induced platelet aggregation


J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50135421
PNG
(Biphenyl-2-carboxylic acid [4-(2-dimethylaminometh...)
Show SMILES CN(C)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C32H31N3O2S/c1-34(2)22-26-20-21-35(29-14-8-9-15-30(29)38-26)32(37)24-16-18-25(19-17-24)33-31(36)28-13-7-6-12-27(28)23-10-4-3-5-11-23/h3-19,26H,20-22H2,1-2H3,(H,33,36)
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n/an/a 430n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-arginine vasopressin in cloned human V2 receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50135417
PNG
(((R)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2...)
Show SMILES OC(=O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)/t24-/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50135413
PNG
((5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2,3,4...)
Show SMILES OC(=O)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)
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n/an/a 729n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50135413
PNG
((5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2,3,4...)
Show SMILES OC(=O)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)
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n/an/a 740n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability to displace [3H]-arginine vasopressin in cloned human V2 receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50135420
PNG
(((S)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2...)
Show SMILES OC(=O)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)/t24-/m0/s1
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n/an/a 1.14E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50135419
PNG
(2-(5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2,3...)
Show SMILES OS(=O)(=O)CCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H28N2O5S2/c34-30(27-11-5-4-10-26(27)22-8-2-1-3-9-22)32-24-16-14-23(15-17-24)31(35)33-20-18-25(19-21-40(36,37)38)39-29-13-7-6-12-28(29)33/h1-17,25H,18-21H2,(H,32,34)(H,36,37,38)
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n/an/a 1.15E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50135421
PNG
(Biphenyl-2-carboxylic acid [4-(2-dimethylaminometh...)
Show SMILES CN(C)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C32H31N3O2S/c1-34(2)22-26-20-21-35(29-14-8-9-15-30(29)38-26)32(37)24-16-18-25(19-17-24)33-31(36)28-13-7-6-12-27(28)23-10-4-3-5-11-23/h3-19,26H,20-22H2,1-2H3,(H,33,36)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a receptor


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035961
PNG
(1-[5-Bromo-4-(3-trifluoromethyl-phenyl)-thiazol-2-...)
Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(c(Br)s2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C22H22BrF6N5OS/c1-3-33(4-2)10-6-9-30-19(35)15-12-31-34(17(15)22(27,28)29)20-32-16(18(23)36-20)13-7-5-8-14(11-13)21(24,25)26/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,30,35)
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n/an/a 1.30E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.


J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50135420
PNG
(((S)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2...)
Show SMILES OC(=O)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)/t24-/m0/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced calcium immobilization in human V1a receptor expressing cells


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50135418
PNG
(3-((S)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}...)
Show SMILES OC(=O)CC[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C32H28N2O4S/c35-30(36)19-18-25-20-21-34(28-12-6-7-13-29(28)39-25)32(38)23-14-16-24(17-15-23)33-31(37)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25H,18-21H2,(H,33,37)(H,35,36)/t25-/m0/s1
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n/an/a 2.01E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced calcium immobilization in human V1a receptor expressing cells


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035961
PNG
(1-[5-Bromo-4-(3-trifluoromethyl-phenyl)-thiazol-2-...)
Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(c(Br)s2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C22H22BrF6N5OS/c1-3-33(4-2)10-6-9-30-19(35)15-12-31-34(17(15)22(27,28)29)20-32-16(18(23)36-20)13-7-5-8-14(11-13)21(24,25)26/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,30,35)
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n/an/a 2.10E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of arachidonic acid-induced platelet aggregation


J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50135417
PNG
(((R)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2...)
Show SMILES OC(=O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)/t24-/m1/s1
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n/an/a 2.13E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced calcium immobilization in human V1a receptor expressing cells


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035970
PNG
(3-(8-Guanidino-octanoylamino)-N-[2-(4-methoxy-phen...)
Show SMILES COc1ccc(CCNC(=O)C(CC(O)=O)NC(=O)CCCCCCCNC(N)=N)cc1
Show InChI InChI=1S/C22H35N5O5/c1-32-17-10-8-16(9-11-17)12-14-25-21(31)18(15-20(29)30)27-19(28)7-5-3-2-4-6-13-26-22(23)24/h8-11,18H,2-7,12-15H2,1H3,(H,25,31)(H,27,28)(H,29,30)(H4,23,24,26)
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n/an/a 2.40E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of arachidonic acid-induced platelet aggregation


J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035955
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C22H23F6N5OS/c1-3-32(4-2)10-6-9-29-19(34)16-12-30-33(18(16)22(26,27)28)20-31-17(13-35-20)14-7-5-8-15(11-14)21(23,24)25/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3,(H,29,34)
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n/an/a 2.50E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of collagen-induced platelet aggregation


J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035960
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES NCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C18H15F6N5OS/c19-17(20,21)11-4-1-3-10(7-11)13-9-31-16(28-13)29-14(18(22,23)24)12(8-27-29)15(30)26-6-2-5-25/h1,3-4,7-9H,2,5-6,25H2,(H,26,30)
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n/an/a 3.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of collagen-induced platelet aggregation


J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035962
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES FC(F)(F)c1c(cnn1-c1nc(cs1)-c1cccc(c1)C(F)(F)F)C(=O)NCCCN1CCCCC1
Show InChI InChI=1S/C23H23F6N5OS/c24-22(25,26)16-7-4-6-15(12-16)18-14-36-21(32-18)34-19(23(27,28)29)17(13-31-34)20(35)30-8-5-11-33-9-2-1-3-10-33/h4,6-7,12-14H,1-3,5,8-11H2,(H,30,35)
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n/an/a 3.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of collagen-induced platelet aggregation


J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035961
PNG
(1-[5-Bromo-4-(3-trifluoromethyl-phenyl)-thiazol-2-...)
Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(c(Br)s2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C22H22BrF6N5OS/c1-3-33(4-2)10-6-9-30-19(35)15-12-31-34(17(15)22(27,28)29)20-32-16(18(23)36-20)13-7-5-8-14(11-13)21(24,25)26/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,30,35)
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n/an/a 3.50E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of collagen-induced platelet aggregation


J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035956
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES CCCNCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F6N5OS/c1-2-7-28-8-4-9-29-18(33)15-11-30-32(17(15)21(25,26)27)19-31-16(12-34-19)13-5-3-6-14(10-13)20(22,23)24/h3,5-6,10-12,28H,2,4,7-9H2,1H3,(H,29,33)
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n/an/a 3.50E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of collagen-induced platelet aggregation


J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035960
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES NCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C18H15F6N5OS/c19-17(20,21)11-4-1-3-10(7-11)13-9-31-16(28-13)29-14(18(22,23)24)12(8-27-29)15(30)26-6-2-5-25/h1,3-4,7-9H,2,5-6,25H2,(H,26,30)
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n/an/a 3.70E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of arachidonic acid-induced platelet aggregation


J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035956
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES CCCNCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C21H21F6N5OS/c1-2-7-28-8-4-9-29-18(33)15-11-30-32(17(15)21(25,26)27)19-31-16(12-34-19)13-5-3-6-14(10-13)20(22,23)24/h3,5-6,10-12,28H,2,4,7-9H2,1H3,(H,29,33)
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n/an/a 4.10E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of arachidonic acid-induced platelet aggregation


J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035955
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES CCN(CC)CCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C22H23F6N5OS/c1-3-32(4-2)10-6-9-29-19(34)16-12-30-33(18(16)22(26,27)28)20-31-17(13-35-20)14-7-5-8-15(11-14)21(23,24)25/h5,7-8,11-13H,3-4,6,9-10H2,1-2H3,(H,29,34)
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n/an/a 4.10E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.


J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035963
PNG
(5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-...)
Show SMILES NCCCCNC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1C(F)(F)F
Show InChI InChI=1S/C19H17F6N5OS/c20-18(21,22)12-5-3-4-11(8-12)14-10-32-17(29-14)30-15(19(23,24)25)13(9-28-30)16(31)27-7-2-1-6-26/h3-5,8-10H,1-2,6-7,26H2,(H,27,31)
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n/an/a 4.50E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of arachidonic acid-induced platelet aggregation


J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50135415
PNG
(3-((R)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}...)
Show SMILES OC(=O)CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C32H28N2O4S/c35-30(36)19-18-25-20-21-34(28-12-6-7-13-29(28)39-25)32(38)23-14-16-24(17-15-23)33-31(37)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,25H,18-21H2,(H,33,37)(H,35,36)/t25-/m1/s1
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n/an/a 4.63E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of vasopressin induced cAMP accumulation in human V2 receptor expressing cells


Bioorg Med Chem Lett 13: 4031-4 (2003)


BindingDB Entry DOI: 10.7270/Q23T9GM3
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 5.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of arachidonic acid-induced platelet aggregation


J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50241180
PNG
((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.


J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035970
PNG
(3-(8-Guanidino-octanoylamino)-N-[2-(4-methoxy-phen...)
Show SMILES COc1ccc(CCNC(=O)C(CC(O)=O)NC(=O)CCCCCCCNC(N)=N)cc1
Show InChI InChI=1S/C22H35N5O5/c1-32-17-10-8-16(9-11-17)12-14-25-21(31)18(15-20(29)30)27-19(28)7-5-3-2-4-6-13-26-22(23)24/h8-11,18H,2-7,12-15H2,1H3,(H,25,31)(H,27,28)(H,29,30)(H4,23,24,26)
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n/an/a 8.20E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of collagen-induced platelet aggregation


J Med Chem 38: 34-41 (1995)


BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
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