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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 = 'BDBM301691'   
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))		BDBM301691
PNG
(US10131692, Compound 23)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)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)N[C@@H](CO)CCCNC(N)=N |r|
Show InChI InChI=1S/C45H64FN11O10S/c1-25(2)38-43(66)54-33(22-36(47)60)40(63)55-34(44(67)57-18-4-7-35(57)42(65)51-29(23-58)6-3-17-50-45(48)49)24-68-19-5-8-37(61)52-31(20-27-11-15-30(59)16-12-27)39(62)53-32(41(64)56-38)21-26-9-13-28(46)14-10-26/h9-16,25,29,31-35,38,58-59H,3-8,17-24H2,1-2H3,(H2,47,60)(H,51,65)(H,52,61)(H,53,62)(H,54,66)(H,55,63)(H,56,64)(H4,48,49,50)/t29-,31+,32+,33+,34+,35+,38+/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.18E+5n/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