Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V2 receptor' and Ligand = 'BDBM301680'   

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))	BDBM301680 (US10131692, Compound 12) 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)NCC1CC1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C47H65ClN12O9S2/c1-26(2)39-45(68)57-34(23-37(49)61)42(65)58-35(46(69)60-18-4-9-36(60)44(67)55-31(8-3-17-52-47(50)51)40(63)53-24-28-11-12-28)25-70-19-6-10-38(62)54-32(21-27-13-15-29(48)16-14-27)41(64)56-33(43(66)59-39)22-30-7-5-20-71-30/h5,7,13-16,20,26,28,31-36,39H,3-4,6,8-12,17-19,21-25H2,1-2H3,(H2,49,61)(H,53,63)(H,55,67)(H,56,64)(H,57,68)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.210	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))	BDBM301680 (US10131692, Compound 12) 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)NCC1CC1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C47H65ClN12O9S2/c1-26(2)39-45(68)57-34(23-37(49)61)42(65)58-35(46(69)60-18-4-9-36(60)44(67)55-31(8-3-17-52-47(50)51)40(63)53-24-28-11-12-28)25-70-19-6-10-38(62)54-32(21-27-13-15-29(48)16-14-27)41(64)56-33(43(66)59-39)22-30-7-5-20-71-30/h5,7,13-16,20,26,28,31-36,39H,3-4,6,8-12,17-19,21-25H2,1-2H3,(H2,49,61)(H,53,63)(H,55,67)(H,56,64)(H,57,68)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	210	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