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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50012514   
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))
BDBM50119815
PNG
(3-chloro-4-[16-methyl-(12S)-2,10-diazatetracyclo[1...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2ccccc12 |TLB:25:26:31:29.28,THB:33:32:31:29.28|
Show InChI InChI=1S/C34H30ClN3O2/c35-30-19-25(36-33(39)28-12-6-5-11-27(28)22-8-2-1-3-9-22)15-17-29(30)34(40)38-21-32-23-14-16-26(18-23)37(32)20-24-10-4-7-13-31(24)38/h1-13,15,17,19,23,26,32H,14,16,18,20-21H2,(H,36,39)/t23?,26?,32-/m1/s1
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9n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119813
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:22:23:28:26.25,THB:30:29:28:26.25|
Show InChI InChI=1S/C29H25ClF3N3O2/c30-20-8-12-25-19(13-20)15-35-22-11-7-18(14-22)26(35)16-36(25)28(38)17-5-9-21(10-6-17)34-27(37)23-3-1-2-4-24(23)29(31,32)33/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,34,37)/t18?,22?,26-/m1/s1
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9n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V1a receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119807
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:25:26:31:29.28,THB:33:32:31:29.28|
Show InChI InChI=1S/C35H32ClN3O2/c1-22-6-8-23(9-7-22)30-4-2-3-5-31(30)34(40)37-28-14-10-24(11-15-28)35(41)39-21-33-25-12-16-29(19-25)38(33)20-26-18-27(36)13-17-32(26)39/h2-11,13-15,17-18,25,29,33H,12,16,19-21H2,1H3,(H,37,40)/t25?,29?,33-/m1/s1
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13n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119807
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:25:26:31:29.28,THB:33:32:31:29.28|
Show InChI InChI=1S/C35H32ClN3O2/c1-22-6-8-23(9-7-22)30-4-2-3-5-31(30)34(40)37-28-14-10-24(11-15-28)35(41)39-21-33-25-12-16-29(19-25)38(33)20-26-18-27(36)13-17-32(26)39/h2-11,13-15,17-18,25,29,33H,12,16,19-21H2,1H3,(H,37,40)/t25?,29?,33-/m1/s1
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23n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V1a receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119816
PNG
(3-chloro-4-[16-methyl-(12R)-2,10-diazatetracyclo[1...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@H]2C3CCC(C3)N2Cc2ccccc12 |TLB:25:26:31:29.28,THB:33:32:31:29.28|
Show InChI InChI=1S/C34H30ClN3O2/c35-30-19-25(36-33(39)28-12-6-5-11-27(28)22-8-2-1-3-9-22)15-17-29(30)34(40)38-21-32-23-14-16-26(18-23)37(32)20-24-10-4-7-13-31(24)38/h1-13,15,17,19,23,26,32H,14,16,18,20-21H2,(H,36,39)/t23?,26?,32-/m0/s1
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30n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119812
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES Clc1ccc2N(C[C@@H]3C4CCC(C4)N3Cc2c1)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 |TLB:6:7:12:10.9,THB:14:13:12:10.9|
Show InChI InChI=1S/C28H25Cl2N3O2/c29-20-8-12-25-19(13-20)15-32-22-11-7-18(14-22)26(32)16-33(25)28(35)17-5-9-21(10-6-17)31-27(34)23-3-1-2-4-24(23)30/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,31,34)/t18?,22?,26-/m1/s1
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32n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119813
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:22:23:28:26.25,THB:30:29:28:26.25|
Show InChI InChI=1S/C29H25ClF3N3O2/c30-20-8-12-25-19(13-20)15-35-22-11-7-18(14-22)26(35)16-36(25)28(38)17-5-9-21(10-6-17)34-27(37)23-3-1-2-4-24(23)29(31,32)33/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,34,37)/t18?,22?,26-/m1/s1
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40n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V1a receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
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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90n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119812
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES Clc1ccc2N(C[C@@H]3C4CCC(C4)N3Cc2c1)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 |TLB:6:7:12:10.9,THB:14:13:12:10.9|
Show InChI InChI=1S/C28H25Cl2N3O2/c29-20-8-12-25-19(13-20)15-32-22-11-7-18(14-22)26(32)16-33(25)28(35)17-5-9-21(10-6-17)31-27(34)23-3-1-2-4-24(23)30/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,31,34)/t18?,22?,26-/m1/s1
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130n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V1a receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119815
PNG
(3-chloro-4-[16-methyl-(12S)-2,10-diazatetracyclo[1...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2ccccc12 |TLB:25:26:31:29.28,THB:33:32:31:29.28|
Show InChI InChI=1S/C34H30ClN3O2/c35-30-19-25(36-33(39)28-12-6-5-11-27(28)22-8-2-1-3-9-22)15-17-29(30)34(40)38-21-32-23-14-16-26(18-23)37(32)20-24-10-4-7-13-31(24)38/h1-13,15,17,19,23,26,32H,14,16,18,20-21H2,(H,36,39)/t23?,26?,32-/m1/s1
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130n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119817
PNG
(2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b][1,4]dia...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCNc2ccccc12
Show InChI InChI=1S/C24H23N3O2/c1-17-7-2-3-8-20(17)23(28)26-19-13-11-18(12-14-19)24(29)27-16-6-15-25-21-9-4-5-10-22(21)27/h2-5,7-14,25H,6,15-16H2,1H3,(H,26,28)
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160n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119810
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:19:20:25:23.22,THB:27:26:25:23.22|
Show InChI InChI=1S/C28H25ClFN3O2/c29-20-8-12-25-19(13-20)15-32-22-11-7-18(14-22)26(32)16-33(25)28(35)17-5-9-21(10-6-17)31-27(34)23-3-1-2-4-24(23)30/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,31,34)/t18?,22?,26-/m1/s1
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180n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119811
PNG
(1N-{4-[6-chloro-16-ethyl-(12S)-2,10-diazatetracycl...)
Show SMILES Clc1ccc2N(C[C@@H]3C4CCC(CC4)N3Cc2c1)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 |wU:7.15,TLB:6:7:10.9:12.13,THB:15:14:10.9:12.13,(3.76,.02,;4.94,-.97,;4.69,-2.46,;5.83,-3.42,;7.24,-2.91,;8.2,-4.08,;9.6,-3.94,;10.67,-2.83,;13.2,-1.17,;15.18,-2.33,;15.59,-.94,;13.52,.32,;13.5,1.87,;12.96,1.54,;10.74,-1.55,;8.91,-.5,;7.5,-1.43,;6.36,-.47,;7.43,-5.58,;5.98,-5.61,;8.32,-6.85,;9.93,-6.64,;10.81,-7.9,;10.14,-9.31,;11.02,-10.57,;12.56,-10.46,;13.24,-9.07,;13.45,-11.74,;12.77,-13.13,;13.64,-14.39,;15.18,-14.27,;15.84,-12.87,;14.97,-11.6,;15.63,-10.21,;8.6,-9.43,;7.73,-8.15,)|
Show InChI InChI=1S/C29H27Cl2N3O2/c30-21-9-14-26-20(15-21)16-33-23-12-7-18(8-13-23)27(33)17-34(26)29(36)19-5-10-22(11-6-19)32-28(35)24-3-1-2-4-25(24)31/h1-6,9-11,14-15,18,23,27H,7-8,12-13,16-17H2,(H,32,35)/t18?,23?,27-/m1/s1
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520n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V1a receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119811
PNG
(1N-{4-[6-chloro-16-ethyl-(12S)-2,10-diazatetracycl...)
Show SMILES Clc1ccc2N(C[C@@H]3C4CCC(CC4)N3Cc2c1)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 |wU:7.15,TLB:6:7:10.9:12.13,THB:15:14:10.9:12.13,(3.76,.02,;4.94,-.97,;4.69,-2.46,;5.83,-3.42,;7.24,-2.91,;8.2,-4.08,;9.6,-3.94,;10.67,-2.83,;13.2,-1.17,;15.18,-2.33,;15.59,-.94,;13.52,.32,;13.5,1.87,;12.96,1.54,;10.74,-1.55,;8.91,-.5,;7.5,-1.43,;6.36,-.47,;7.43,-5.58,;5.98,-5.61,;8.32,-6.85,;9.93,-6.64,;10.81,-7.9,;10.14,-9.31,;11.02,-10.57,;12.56,-10.46,;13.24,-9.07,;13.45,-11.74,;12.77,-13.13,;13.64,-14.39,;15.18,-14.27,;15.84,-12.87,;14.97,-11.6,;15.63,-10.21,;8.6,-9.43,;7.73,-8.15,)|
Show InChI InChI=1S/C29H27Cl2N3O2/c30-21-9-14-26-20(15-21)16-33-23-12-7-18(8-13-23)27(33)17-34(26)29(36)19-5-10-22(11-6-19)32-28(35)24-3-1-2-4-25(24)31/h1-6,9-11,14-15,18,23,27H,7-8,12-13,16-17H2,(H,32,35)/t18?,23?,27-/m1/s1
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620n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119817
PNG
(2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b][1,4]dia...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCNc2ccccc12
Show InChI InChI=1S/C24H23N3O2/c1-17-7-2-3-8-20(17)23(28)26-19-13-11-18(12-14-19)24(29)27-16-6-15-25-21-9-4-5-10-22(21)27/h2-5,7-14,25H,6,15-16H2,1H3,(H,26,28)
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890n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V1a receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119810
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:19:20:25:23.22,THB:27:26:25:23.22|
Show InChI InChI=1S/C28H25ClFN3O2/c29-20-8-12-25-19(13-20)15-32-22-11-7-18(14-22)26(32)16-33(25)28(35)17-5-9-21(10-6-17)31-27(34)23-3-1-2-4-24(23)30/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,31,34)/t18?,22?,26-/m1/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V1a receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119813
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:22:23:28:26.25,THB:30:29:28:26.25|
Show InChI InChI=1S/C29H25ClF3N3O2/c30-20-8-12-25-19(13-20)15-35-22-11-7-18(14-22)26(35)16-36(25)28(38)17-5-9-21(10-6-17)34-27(37)23-3-1-2-4-24(23)29(31,32)33/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,34,37)/t18?,22?,26-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V1a receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119815
PNG
(3-chloro-4-[16-methyl-(12S)-2,10-diazatetracyclo[1...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2ccccc12 |TLB:25:26:31:29.28,THB:33:32:31:29.28|
Show InChI InChI=1S/C34H30ClN3O2/c35-30-19-25(36-33(39)28-12-6-5-11-27(28)22-8-2-1-3-9-22)15-17-29(30)34(40)38-21-32-23-14-16-26(18-23)37(32)20-24-10-4-7-13-31(24)38/h1-13,15,17,19,23,26,32H,14,16,18,20-21H2,(H,36,39)/t23?,26?,32-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119818
PNG
(3-chloro-4-[16-ethyl-2,10-diazatetracyclo[11.2.1.0...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2C3CCC(CC3)N2Cc2ccccc12 |TLB:25:26:29.28:31.32,THB:34:33:29.28:31.32,(4.49,-8.59,;6.03,-8.45,;6.89,-9.71,;8.43,-9.6,;9.29,-10.87,;10.83,-10.76,;11.49,-9.36,;11.7,-12.02,;11.04,-13.4,;11.91,-14.67,;13.45,-14.56,;14.1,-13.16,;13.24,-11.9,;13.89,-10.51,;15.43,-10.38,;16.08,-8.99,;15.2,-7.71,;13.66,-7.85,;13,-9.25,;9.08,-8.2,;8.22,-6.94,;6.59,-7.16,;5.72,-5.89,;4.28,-5.91,;6.47,-4.41,;7.89,-4.27,;8.94,-3.16,;11.46,-1.5,;13.45,-2.64,;13.84,-1.27,;11.77,-.01,;11.77,1.53,;11.23,1.19,;9.01,-1.87,;7.19,-.84,;5.79,-1.76,;4.65,-.8,;3.25,-1.31,;2.99,-2.78,;4.14,-3.74,;5.54,-3.23,)|
Show InChI InChI=1S/C35H32ClN3O2/c36-31-20-26(37-34(40)29-12-6-5-11-28(29)23-8-2-1-3-9-23)16-19-30(31)35(41)39-22-33-24-14-17-27(18-15-24)38(33)21-25-10-4-7-13-32(25)39/h1-13,16,19-20,24,27,33H,14-15,17-18,21-22H2,(H,37,40)
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n/an/a 4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119812
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES Clc1ccc2N(C[C@@H]3C4CCC(C4)N3Cc2c1)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 |TLB:6:7:12:10.9,THB:14:13:12:10.9|
Show InChI InChI=1S/C28H25Cl2N3O2/c29-20-8-12-25-19(13-20)15-32-22-11-7-18(14-22)26(32)16-33(25)28(35)17-5-9-21(10-6-17)31-27(34)23-3-1-2-4-24(23)30/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,31,34)/t18?,22?,26-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
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 and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119807
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:25:26:31:29.28,THB:33:32:31:29.28|
Show InChI InChI=1S/C35H32ClN3O2/c1-22-6-8-23(9-7-22)30-4-2-3-5-31(30)34(40)37-28-14-10-24(11-15-28)35(41)39-21-33-25-12-16-29(19-25)38(33)20-26-18-27(36)13-17-32(26)39/h2-11,13-15,17-18,25,29,33H,12,16,19-21H2,1H3,(H,37,40)/t25?,29?,33-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V1a receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119814
PNG
(1N-{4-[16-ethyl-2,10-diazatetracyclo[11.2.1.02,12....)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CC2C3CCC(CC3)N2Cc2ccccc12)c1ccccc1-c1ccccc1 |TLB:12:13:16.15:18.19,THB:21:20:16.15:18.19,(11.51,-9.02,;10.83,-10.42,;9.3,-10.54,;8.43,-9.25,;9.09,-7.85,;8.22,-6.59,;6.61,-6.82,;6.02,-8.11,;6.89,-9.37,;5.73,-5.54,;4.28,-5.56,;6.49,-4.07,;7.89,-3.93,;8.95,-2.81,;11.47,-1.15,;13.45,-2.3,;13.85,-.92,;11.79,.34,;11.77,1.88,;11.24,1.53,;9.02,-1.53,;7.2,-.5,;5.8,-1.41,;4.65,-.45,;3.24,-.96,;2.99,-2.44,;4.13,-3.39,;5.53,-2.88,;11.72,-11.68,;11.04,-13.06,;11.91,-14.34,;13.45,-14.22,;14.11,-12.82,;13.24,-11.56,;13.89,-10.16,;15.43,-10.05,;16.09,-8.65,;15.22,-7.38,;13.66,-7.5,;13.03,-8.9,)|
Show InChI InChI=1S/C35H33N3O2/c39-34(31-12-6-5-11-30(31)24-8-2-1-3-9-24)36-28-18-14-26(15-19-28)35(40)38-23-33-25-16-20-29(21-17-25)37(33)22-27-10-4-7-13-32(27)38/h1-15,18-19,25,29,33H,16-17,20-23H2,(H,36,39)
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n/an/a 6n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119813
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:22:23:28:26.25,THB:30:29:28:26.25|
Show InChI InChI=1S/C29H25ClF3N3O2/c30-20-8-12-25-19(13-20)15-35-22-11-7-18(14-22)26(35)16-36(25)28(38)17-5-9-21(10-6-17)34-27(37)23-3-1-2-4-24(23)29(31,32)33/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,34,37)/t18?,22?,26-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119812
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES Clc1ccc2N(C[C@@H]3C4CCC(C4)N3Cc2c1)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 |TLB:6:7:12:10.9,THB:14:13:12:10.9|
Show InChI InChI=1S/C28H25Cl2N3O2/c29-20-8-12-25-19(13-20)15-32-22-11-7-18(14-22)26(32)16-33(25)28(35)17-5-9-21(10-6-17)31-27(34)23-3-1-2-4-24(23)30/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,31,34)/t18?,22?,26-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119811
PNG
(1N-{4-[6-chloro-16-ethyl-(12S)-2,10-diazatetracycl...)
Show SMILES Clc1ccc2N(C[C@@H]3C4CCC(CC4)N3Cc2c1)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 |wU:7.15,TLB:6:7:10.9:12.13,THB:15:14:10.9:12.13,(3.76,.02,;4.94,-.97,;4.69,-2.46,;5.83,-3.42,;7.24,-2.91,;8.2,-4.08,;9.6,-3.94,;10.67,-2.83,;13.2,-1.17,;15.18,-2.33,;15.59,-.94,;13.52,.32,;13.5,1.87,;12.96,1.54,;10.74,-1.55,;8.91,-.5,;7.5,-1.43,;6.36,-.47,;7.43,-5.58,;5.98,-5.61,;8.32,-6.85,;9.93,-6.64,;10.81,-7.9,;10.14,-9.31,;11.02,-10.57,;12.56,-10.46,;13.24,-9.07,;13.45,-11.74,;12.77,-13.13,;13.64,-14.39,;15.18,-14.27,;15.84,-12.87,;14.97,-11.6,;15.63,-10.21,;8.6,-9.43,;7.73,-8.15,)|
Show InChI InChI=1S/C29H27Cl2N3O2/c30-21-9-14-26-20(15-21)16-33-23-12-7-18(8-13-23)27(33)17-34(26)29(36)19-5-10-22(11-6-19)32-28(35)24-3-1-2-4-25(24)31/h1-6,9-11,14-15,18,23,27H,7-8,12-13,16-17H2,(H,32,35)/t18?,23?,27-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119816
PNG
(3-chloro-4-[16-methyl-(12R)-2,10-diazatetracyclo[1...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@H]2C3CCC(C3)N2Cc2ccccc12 |TLB:25:26:31:29.28,THB:33:32:31:29.28|
Show InChI InChI=1S/C34H30ClN3O2/c35-30-19-25(36-33(39)28-12-6-5-11-27(28)22-8-2-1-3-9-22)15-17-29(30)34(40)38-21-32-23-14-16-26(18-23)37(32)20-24-10-4-7-13-31(24)38/h1-13,15,17,19,23,26,32H,14,16,18,20-21H2,(H,36,39)/t23?,26?,32-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V1a receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119819
PNG
(3-chloro-4-[16-ethyl-(12S)-2,10-diazatetracyclo[11...)
Show SMILES Cc1cc(F)cc(c1)C(=O)Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)N3Cc3ccccc23)c(Cl)c1 |wU:19.28,TLB:27:26:22.21:24.25,THB:18:19:22.21:24.25,(15.87,-12.2,;14.33,-12.33,;13.66,-13.73,;12.14,-13.84,;11.46,-15.24,;11.25,-12.58,;11.93,-11.2,;13.45,-11.07,;11.04,-9.92,;11.72,-8.54,;9.53,-10.04,;8.64,-8.77,;9.32,-7.37,;8.43,-6.11,;6.82,-6.33,;5.96,-5.06,;4.51,-5.09,;6.7,-3.58,;8.1,-3.44,;9.18,-2.33,;11.7,-.68,;11.46,2.02,;12,2.36,;12,.82,;14.08,-.44,;13.66,-1.82,;9.25,-1.05,;7.43,-.01,;6.02,-.93,;4.88,.02,;3.46,-.47,;3.2,-1.96,;4.35,-2.92,;5.75,-2.4,;6.24,-7.63,;4.7,-7.77,;7.1,-8.89,)|
Show InChI InChI=1S/C30H29ClFN3O2/c1-18-12-21(14-22(32)13-18)29(36)33-23-8-11-25(26(31)15-23)30(37)35-17-28-19-6-9-24(10-7-19)34(28)16-20-4-2-3-5-27(20)35/h2-5,8,11-15,19,24,28H,6-7,9-10,16-17H2,1H3,(H,33,36)/t19?,24?,28-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119815
PNG
(3-chloro-4-[16-methyl-(12S)-2,10-diazatetracyclo[1...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2ccccc12 |TLB:25:26:31:29.28,THB:33:32:31:29.28|
Show InChI InChI=1S/C34H30ClN3O2/c35-30-19-25(36-33(39)28-12-6-5-11-27(28)22-8-2-1-3-9-22)15-17-29(30)34(40)38-21-32-23-14-16-26(18-23)37(32)20-24-10-4-7-13-31(24)38/h1-13,15,17,19,23,26,32H,14,16,18,20-21H2,(H,36,39)/t23?,26?,32-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V1a receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119807
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:25:26:31:29.28,THB:33:32:31:29.28|
Show InChI InChI=1S/C35H32ClN3O2/c1-22-6-8-23(9-7-22)30-4-2-3-5-31(30)34(40)37-28-14-10-24(11-15-28)35(41)39-21-33-25-12-16-29(19-25)38(33)20-26-18-27(36)13-17-32(26)39/h2-11,13-15,17-18,25,29,33H,12,16,19-21H2,1H3,(H,37,40)/t25?,29?,33-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119810
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:19:20:25:23.22,THB:27:26:25:23.22|
Show InChI InChI=1S/C28H25ClFN3O2/c29-20-8-12-25-19(13-20)15-32-22-11-7-18(14-22)26(32)16-33(25)28(35)17-5-9-21(10-6-17)31-27(34)23-3-1-2-4-24(23)30/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,31,34)/t18?,22?,26-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119817
PNG
(2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b][1,4]dia...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCNc2ccccc12
Show InChI InChI=1S/C24H23N3O2/c1-17-7-2-3-8-20(17)23(28)26-19-13-11-18(12-14-19)24(29)27-16-6-15-25-21-9-4-5-10-22(21)27/h2-5,7-14,25H,6,15-16H2,1H3,(H,26,28)
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n/an/a 28n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V1a receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119809
PNG
(3-chloro-4-[6-chloro-16-methyl-(12S)-2,10-diazatet...)
Show SMILES Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc23)c(Cl)c1 |TLB:23:24:29:27.26,THB:31:30:29:27.26|
Show InChI InChI=1S/C35H31Cl2N3O2/c1-21-6-8-22(9-7-21)28-4-2-3-5-29(28)34(41)38-26-12-14-30(31(37)18-26)35(42)40-20-33-23-10-13-27(17-23)39(33)19-24-16-25(36)11-15-32(24)40/h2-9,11-12,14-16,18,23,27,33H,10,13,17,19-20H2,1H3,(H,38,41)/t23?,27?,33-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119809
PNG
(3-chloro-4-[6-chloro-16-methyl-(12S)-2,10-diazatet...)
Show SMILES Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc23)c(Cl)c1 |TLB:23:24:29:27.26,THB:31:30:29:27.26|
Show InChI InChI=1S/C35H31Cl2N3O2/c1-21-6-8-22(9-7-21)28-4-2-3-5-29(28)34(41)38-26-12-14-30(31(37)18-26)35(42)40-20-33-23-10-13-27(17-23)39(33)19-24-16-25(36)11-15-32(24)40/h2-9,11-12,14-16,18,23,27,33H,10,13,17,19-20H2,1H3,(H,38,41)/t23?,27?,33-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V1a receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119811
PNG
(1N-{4-[6-chloro-16-ethyl-(12S)-2,10-diazatetracycl...)
Show SMILES Clc1ccc2N(C[C@@H]3C4CCC(CC4)N3Cc2c1)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 |wU:7.15,TLB:6:7:10.9:12.13,THB:15:14:10.9:12.13,(3.76,.02,;4.94,-.97,;4.69,-2.46,;5.83,-3.42,;7.24,-2.91,;8.2,-4.08,;9.6,-3.94,;10.67,-2.83,;13.2,-1.17,;15.18,-2.33,;15.59,-.94,;13.52,.32,;13.5,1.87,;12.96,1.54,;10.74,-1.55,;8.91,-.5,;7.5,-1.43,;6.36,-.47,;7.43,-5.58,;5.98,-5.61,;8.32,-6.85,;9.93,-6.64,;10.81,-7.9,;10.14,-9.31,;11.02,-10.57,;12.56,-10.46,;13.24,-9.07,;13.45,-11.74,;12.77,-13.13,;13.64,-14.39,;15.18,-14.27,;15.84,-12.87,;14.97,-11.6,;15.63,-10.21,;8.6,-9.43,;7.73,-8.15,)|
Show InChI InChI=1S/C29H27Cl2N3O2/c30-21-9-14-26-20(15-21)16-33-23-12-7-18(8-13-23)27(33)17-34(26)29(36)19-5-10-22(11-6-19)32-28(35)24-3-1-2-4-25(24)31/h1-6,9-11,14-15,18,23,27H,7-8,12-13,16-17H2,(H,32,35)/t18?,23?,27-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V1a receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119808
PNG
(1N-{4-[6-chloro-16-ethyl-(12S)-2,10-diazatetracycl...)
Show SMILES Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(CC3)N2Cc2cc(Cl)ccc12 |wU:26.37,TLB:25:26:29.28:31.32,THB:34:33:29.28:31.32,(16.59,-5.99,;15.93,-7.4,;16.81,-8.66,;16.16,-10.06,;14.62,-10.18,;13.73,-8.92,;14.38,-7.54,;13.96,-11.58,;14.83,-12.85,;14.17,-14.25,;12.63,-14.37,;11.76,-13.1,;12.43,-11.7,;11.55,-10.44,;12.21,-9.03,;10.01,-10.55,;9.14,-9.29,;9.8,-7.89,;8.93,-6.63,;7.3,-6.84,;6.73,-8.12,;7.6,-9.41,;6.43,-5.57,;4.98,-5.6,;7.19,-4.08,;8.61,-3.94,;9.66,-2.81,;12.18,-1.15,;14.17,-2.32,;14.58,-.94,;12.5,.32,;12.5,1.86,;11.95,1.54,;9.73,-1.53,;7.9,-.5,;6.5,-1.41,;5.36,-.45,;3.95,-.97,;2.77,.02,;3.69,-2.44,;4.84,-3.4,;6.24,-2.91,)|
Show InChI InChI=1S/C36H34ClN3O2/c1-23-6-8-24(9-7-23)31-4-2-3-5-32(31)35(41)38-29-15-10-26(11-16-29)36(42)40-22-34-25-12-17-30(18-13-25)39(34)21-27-20-28(37)14-19-33(27)40/h2-11,14-16,19-20,25,30,34H,12-13,17-18,21-22H2,1H3,(H,38,41)/t25?,30?,34-/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V1a receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119810
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:19:20:25:23.22,THB:27:26:25:23.22|
Show InChI InChI=1S/C28H25ClFN3O2/c29-20-8-12-25-19(13-20)15-32-22-11-7-18(14-22)26(32)16-33(25)28(35)17-5-9-21(10-6-17)31-27(34)23-3-1-2-4-24(23)30/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,31,34)/t18?,22?,26-/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50119808
PNG
(1N-{4-[6-chloro-16-ethyl-(12S)-2,10-diazatetracycl...)
Show SMILES Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(CC3)N2Cc2cc(Cl)ccc12 |wU:26.37,TLB:25:26:29.28:31.32,THB:34:33:29.28:31.32,(16.59,-5.99,;15.93,-7.4,;16.81,-8.66,;16.16,-10.06,;14.62,-10.18,;13.73,-8.92,;14.38,-7.54,;13.96,-11.58,;14.83,-12.85,;14.17,-14.25,;12.63,-14.37,;11.76,-13.1,;12.43,-11.7,;11.55,-10.44,;12.21,-9.03,;10.01,-10.55,;9.14,-9.29,;9.8,-7.89,;8.93,-6.63,;7.3,-6.84,;6.73,-8.12,;7.6,-9.41,;6.43,-5.57,;4.98,-5.6,;7.19,-4.08,;8.61,-3.94,;9.66,-2.81,;12.18,-1.15,;14.17,-2.32,;14.58,-.94,;12.5,.32,;12.5,1.86,;11.95,1.54,;9.73,-1.53,;7.9,-.5,;6.5,-1.41,;5.36,-.45,;3.95,-.97,;2.77,.02,;3.69,-2.44,;4.84,-3.4,;6.24,-2.91,)|
Show InChI InChI=1S/C36H34ClN3O2/c1-23-6-8-24(9-7-23)31-4-2-3-5-32(31)35(41)38-29-15-10-26(11-16-29)36(42)40-22-34-25-12-17-30(18-13-25)39(34)21-27-20-28(37)14-19-33(27)40/h2-11,14-16,19-20,25,30,34H,12-13,17-18,21-22H2,1H3,(H,38,41)/t25?,30?,34-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
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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n/an/a 150n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V1a receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119817
PNG
(2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b][1,4]dia...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCNc2ccccc12
Show InChI InChI=1S/C24H23N3O2/c1-17-7-2-3-8-20(17)23(28)26-19-13-11-18(12-14-19)24(29)27-16-6-15-25-21-9-4-5-10-22(21)27/h2-5,7-14,25H,6,15-16H2,1H3,(H,26,28)
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n/an/a 250n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V1a receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50119807
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:25:26:31:29.28,THB:33:32:31:29.28|
Show InChI InChI=1S/C35H32ClN3O2/c1-22-6-8-23(9-7-22)30-4-2-3-5-31(30)34(40)37-28-14-10-24(11-15-28)35(41)39-21-33-25-12-16-29(19-25)38(33)20-26-18-27(36)13-17-32(26)39/h2-11,13-15,17-18,25,29,33H,12,16,19-21H2,1H3,(H,37,40)/t25?,29?,33-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C9


Bioorg Med Chem Lett 12: 3081-4 (2002)


BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair