Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V2 receptor' and Ligand = 'BDBM301679'   

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))	BDBM301679 (US10131692, Compound 11) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)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](CCCNC(N)=N)C(=O)NC1CC1 |r| Show InChI InChI=1S/C46H65ClN12O9S2/c1-25(2)38-44(67)56-33(23-36(48)60)41(64)57-34(45(68)59-18-4-9-35(59)43(66)54-30(8-3-17-51-46(49)50)39(62)52-28-15-16-28)24-69-19-6-10-37(61)53-31(21-26-11-13-27(47)14-12-26)40(63)55-32(42(65)58-38)22-29-7-5-20-70-29/h5,7,11-14,20,25,28,30-35,38H,3-4,6,8-10,15-19,21-24H2,1-2H3,(H2,48,60)(H,52,62)(H,53,61)(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,65)(H4,49,50,51)/t30-,31+,32+,33+,34+,35+,38+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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))	BDBM301679 (US10131692, Compound 11) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)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](CCCNC(N)=N)C(=O)NC1CC1 |r| Show InChI InChI=1S/C46H65ClN12O9S2/c1-25(2)38-44(67)56-33(23-36(48)60)41(64)57-34(45(68)59-18-4-9-35(59)43(66)54-30(8-3-17-51-46(49)50)39(62)52-28-15-16-28)24-69-19-6-10-37(61)53-31(21-26-11-13-27(47)14-12-26)40(63)55-32(42(65)58-38)22-29-7-5-20-70-29/h5,7,11-14,20,25,28,30-35,38H,3-4,6,8-10,15-19,21-24H2,1-2H3,(H2,48,60)(H,52,62)(H,53,61)(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,65)(H4,49,50,51)/t30-,31+,32+,33+,34+,35+,38+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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