Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50114033' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50114033
(CHEMBL86667 | {4-[2-(3-Biphenyl-4-yl-5-methyl-[1,2...)Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1c(C)cccc1OCc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1 |(15.01,-.52,;13.48,-.29,;12.92,1.14,;11.39,1.05,;10.99,-.44,;9.57,-1,;9.33,-2.53,;7.9,-3.09,;6.69,-2.13,;6.92,-.61,;8.35,-.03,;5.26,-2.69,;4.05,-1.71,;2.62,-2.27,;2.38,-3.81,;3.58,-4.77,;5.02,-4.21,;12.29,-1.27,;12.45,-2.79,;11.2,-3.7,;9.8,-3.07,;11.36,-5.22,;12.77,-5.85,;14.02,-4.94,;13.86,-3.42,;15.1,-2.51,;16.53,-3.05,;16.79,-4.56,;18.23,-5.09,;18.49,-6.6,;17.32,-7.6,;15.87,-7.06,;15.59,-5.55,;17.57,-9.12,;19.02,-9.65,;16.39,-10.1,;17.53,-11.13,;17.18,-12.65,;15.71,-13.11,;14.59,-12.07,;14.92,-10.56,;15.48,-14.61,;16.67,-15.57,;16.44,-17.09,;15.01,-17.63,;13.82,-16.67,;14.05,-15.17,)| Show InChI InChI=1S/C40H43N5O2/c1-29-10-9-13-37(38(29)45-30(2)41-42-39(45)34-20-18-33(19-21-34)32-11-5-3-6-12-32)47-28-31-14-16-35(17-15-31)40(46)44-26-22-36(23-27-44)43-24-7-4-8-25-43/h3,5-6,9-21,36H,4,7-8,22-28H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity at cloned human Vasopressin V1a receptor stably expressed in CHO cells, using [3H]-AVP as radioligand |
J Med Chem 45: 2589-98 (2002)
BindingDB Entry DOI: 10.7270/Q2NC60H9 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50114033
(CHEMBL86667 | {4-[2-(3-Biphenyl-4-yl-5-methyl-[1,2...)Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1c(C)cccc1OCc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1 |(15.01,-.52,;13.48,-.29,;12.92,1.14,;11.39,1.05,;10.99,-.44,;9.57,-1,;9.33,-2.53,;7.9,-3.09,;6.69,-2.13,;6.92,-.61,;8.35,-.03,;5.26,-2.69,;4.05,-1.71,;2.62,-2.27,;2.38,-3.81,;3.58,-4.77,;5.02,-4.21,;12.29,-1.27,;12.45,-2.79,;11.2,-3.7,;9.8,-3.07,;11.36,-5.22,;12.77,-5.85,;14.02,-4.94,;13.86,-3.42,;15.1,-2.51,;16.53,-3.05,;16.79,-4.56,;18.23,-5.09,;18.49,-6.6,;17.32,-7.6,;15.87,-7.06,;15.59,-5.55,;17.57,-9.12,;19.02,-9.65,;16.39,-10.1,;17.53,-11.13,;17.18,-12.65,;15.71,-13.11,;14.59,-12.07,;14.92,-10.56,;15.48,-14.61,;16.67,-15.57,;16.44,-17.09,;15.01,-17.63,;13.82,-16.67,;14.05,-15.17,)| Show InChI InChI=1S/C40H43N5O2/c1-29-10-9-13-37(38(29)45-30(2)41-42-39(45)34-20-18-33(19-21-34)32-11-5-3-6-12-32)47-28-31-14-16-35(17-15-31)40(46)44-26-22-36(23-27-44)43-24-7-4-8-25-43/h3,5-6,9-21,36H,4,7-8,22-28H2,1-2H3 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 32.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity at Vasopressin V1a receptor, performed using [3H]-AVP on rat liver |
J Med Chem 45: 2589-98 (2002)
BindingDB Entry DOI: 10.7270/Q2NC60H9 |
More data for this
Ligand-Target Pair | |
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