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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM301677'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM301677
PNG
(US10131692, Compound 9)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N |r|
Show InChI InChI=1S/C42H61N11O9S2/c1-24(2)35-40(61)50-30(22-33(43)55)37(58)51-31(41(62)53-17-5-9-32(53)39(60)46-15-3-4-16-47-42(44)45)23-63-18-7-10-34(56)48-28(20-25-11-13-26(54)14-12-25)36(57)49-29(38(59)52-35)21-27-8-6-19-64-27/h6,8,11-14,19,24,28-32,35,54H,3-5,7,9-10,15-18,20-23H2,1-2H3,(H2,43,55)(H,46,60)(H,48,56)(H,49,57)(H,50,61)(H,51,58)(H,52,59)(H4,44,45,47)/t28-,29-,30-,31-,32-,35-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+7n/an/an/an/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