Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM316328' 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)) | BDBM316328
(US9617226, Example 11 | US9617226, Example 9 | cis...)Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCC2)C1)-c1cccc(Cl)c1 |r,wD:18.19,20.22,(,-7.7,;-1.33,-6.93,;-2.67,-7.7,;-1.33,-5.39,;,-4.62,;1.33,-5.39,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;8,-3.08,;9.49,-2.68,;9.89,-4.17,;11.22,-4.94,;11.22,-6.48,;12.47,-7.38,;11.99,-8.85,;10.45,-8.85,;9.98,-7.38,;8.4,-4.57,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,)| Show InChI InChI=1S/C28H33ClN4O2/c1-18(2)30-26(34)17-33-27(21-6-5-7-23(29)14-21)31-25-9-8-20(15-24(25)28(33)35)22-12-19(13-22)16-32-10-3-4-11-32/h5-9,14-15,18-19,22H,3-4,10-13,16-17H2,1-2H3,(H,30,34)/t19-,22+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
US Patent
| Assay Description The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub... |
US Patent US9617226 (2017)
BindingDB Entry DOI: 10.7270/Q2639RTS |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM316328
(US9617226, Example 11 | US9617226, Example 9 | cis...)Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCC2)C1)-c1cccc(Cl)c1 |r,wD:18.19,20.22,(,-7.7,;-1.33,-6.93,;-2.67,-7.7,;-1.33,-5.39,;,-4.62,;1.33,-5.39,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;8,-3.08,;9.49,-2.68,;9.89,-4.17,;11.22,-4.94,;11.22,-6.48,;12.47,-7.38,;11.99,-8.85,;10.45,-8.85,;9.98,-7.38,;8.4,-4.57,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,)| Show InChI InChI=1S/C28H33ClN4O2/c1-18(2)30-26(34)17-33-27(21-6-5-7-23(29)14-21)31-25-9-8-20(15-24(25)28(33)35)22-12-19(13-22)16-32-10-3-4-11-32/h5-9,14-15,18-19,22H,3-4,10-13,16-17H2,1-2H3,(H,30,34)/t19-,22+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
US Patent
| Assay Description The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub... |
US Patent US9617226 (2017)
BindingDB Entry DOI: 10.7270/Q2639RTS |
More data for this Ligand-Target Pair | |