Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V2 receptor' and Ligand = 'BDBM301699' 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 V2 receptor
(Homo sapiens (Human)) | BDBM301699
(US10131692, Compound 31)Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$| Show InChI InChI=1S/C45H63ClN12O10S2/c1-4-50-38(62)29(8-5-15-51-45(48)49)53-42(66)34-20-27(59)23-58(34)44(68)30-13-17-69-18-14-36(61)52-31(19-25-9-11-26(46)12-10-25)39(63)55-32(21-28-7-6-16-70-28)41(65)57-37(24(2)3)43(67)56-33(22-35(47)60)40(64)54-30/h6-7,9-12,16,24,27,29-34,37,59H,4-5,8,13-15,17-23H2,1-3H3,(H2,47,60)(H,50,62)(H,53,66)(H,55,63)(H,56,67)(H,57,65)(H4,48,49,51)/t27-,29-,30+,31+,32+,33+,34+,37+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ... |
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 V2 receptor
(Homo sapiens (Human)) | BDBM301699
(US10131692, Compound 31)Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$| Show InChI InChI=1S/C45H63ClN12O10S2/c1-4-50-38(62)29(8-5-15-51-45(48)49)53-42(66)34-20-27(59)23-58(34)44(68)30-13-17-69-18-14-36(61)52-31(19-25-9-11-26(46)12-10-25)39(63)55-32(21-28-7-6-16-70-28)41(65)57-37(24(2)3)43(67)56-33(22-35(47)60)40(64)54-30/h6-7,9-12,16,24,27,29-34,37,59H,4-5,8,13-15,17-23H2,1-3H3,(H2,47,60)(H,50,62)(H,53,66)(H,55,63)(H,56,67)(H,57,65)(H4,48,49,51)/t27-,29-,30+,31+,32+,33+,34+,37+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Ferring B.V.
US Patent
| Assay Description Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an... |
US Patent US10131692 (2018)
BindingDB Entry DOI: 10.7270/Q2WQ05TR |
More data for this Ligand-Target Pair | |