Found 3 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V2 receptor' and Ligand = 'BDBM301684' 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)) | BDBM301684
(US10131692, Compound 16 | US10131692, Compound 27)Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=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/C47H67ClN12O10S2/c1-25(2)22-53-40(64)31(9-5-15-52-47(50)51)55-44(68)36-19-29(61)23-60(36)46(70)35-24-71-16-7-10-38(63)54-32(18-27-11-13-28(48)14-12-27)41(65)56-33(20-30-8-6-17-72-30)43(67)59-39(26(3)4)45(69)57-34(21-37(49)62)42(66)58-35/h6,8,11-14,17,25-26,29,31-36,39,61H,5,7,9-10,15-16,18-24H2,1-4H3,(H2,49,62)(H,53,64)(H,55,68)(H,56,65)(H,57,69)(H,59,67)(H4,50,51,52)/t29-,31-,32+,33+,34+,35+,36+,39+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 230 | 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 | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM301684
(US10131692, Compound 16 | US10131692, Compound 27)Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=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/C47H67ClN12O10S2/c1-25(2)22-53-40(64)31(9-5-15-52-47(50)51)55-44(68)36-19-29(61)23-60(36)46(70)35-24-71-16-7-10-38(63)54-32(18-27-11-13-28(48)14-12-27)41(65)56-33(20-30-8-6-17-72-30)43(67)59-39(26(3)4)45(69)57-34(21-37(49)62)42(66)58-35/h6,8,11-14,17,25-26,29,31-36,39,61H,5,7,9-10,15-16,18-24H2,1-4H3,(H2,49,62)(H,53,64)(H,55,68)(H,56,65)(H,57,69)(H,59,67)(H4,50,51,52)/t29-,31-,32+,33+,34+,35+,36+,39+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.230 | 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)) | BDBM301684
(US10131692, Compound 16 | US10131692, Compound 27)Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=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/C47H67ClN12O10S2/c1-25(2)22-53-40(64)31(9-5-15-52-47(50)51)55-44(68)36-19-29(61)23-60(36)46(70)35-24-71-16-7-10-38(63)54-32(18-27-11-13-28(48)14-12-27)41(65)56-33(20-30-8-6-17-72-30)43(67)59-39(26(3)4)45(69)57-34(21-37(49)62)42(66)58-35/h6,8,11-14,17,25-26,29,31-36,39,61H,5,7,9-10,15-16,18-24H2,1-4H3,(H2,49,62)(H,53,64)(H,55,68)(H,56,65)(H,57,69)(H,59,67)(H4,50,51,52)/t29-,31-,32+,33+,34+,35+,36+,39+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 200 | 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 | |