Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM301692' 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 V1b receptor
(Homo sapiens (Human)) | BDBM301692
(US10131692, Compound 24)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C45H61ClFN11O9S/c1-25(2)38-43(66)55-33(22-36(48)60)40(63)56-34(44(67)58-18-4-7-35(58)42(65)52-30(23-59)6-3-17-51-45(49)50)24-68-19-5-8-37(61)53-31(20-26-9-13-28(46)14-10-26)39(62)54-32(41(64)57-38)21-27-11-15-29(47)16-12-27/h9-16,25,30-35,38,59H,3-8,17-24H2,1-2H3,(H2,48,60)(H,52,65)(H,54,62)(H,55,66)(H,57,64)(H4,49,50,51)/t30-,31+,32+,33+,34+,35+,38+/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human V1B receptor expressed in HEK293 cells measured after 5 hrs by luciferase reporter gene assay |
J Med Chem 62: 4991-5005 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00132 BindingDB Entry DOI: 10.7270/Q2PG1W51 |
More data for this Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM301692
(US10131692, Compound 24)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C45H61ClFN11O9S/c1-25(2)38-43(66)55-33(22-36(48)60)40(63)56-34(44(67)58-18-4-7-35(58)42(65)52-30(23-59)6-3-17-51-45(49)50)24-68-19-5-8-37(61)53-31(20-26-9-13-28(46)14-10-26)39(62)54-32(41(64)57-38)21-27-11-15-29(47)16-12-27/h9-16,25,30-35,38,59H,3-8,17-24H2,1-2H3,(H2,48,60)(H,52,65)(H,54,62)(H,55,66)(H,57,64)(H4,49,50,51)/t30-,31+,32+,33+,34+,35+,38+/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 2.23E+5 | n/a | n/a | n/a | n/a |
Ferring B.V.
US Patent
| Assay Description To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A... |
US Patent US10131692 (2018)
BindingDB Entry DOI: 10.7270/Q2WQ05TR |
More data for this Ligand-Target Pair | |