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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 = 'BDBM301690'   
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))		BDBM301690
PNG
(US10131692, Compound 22)
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](CO)CCCNC(N)=N |r|
Show InChI InChI=1S/C43H62ClN11O9S2/c1-24(2)36-41(63)52-31(21-34(45)57)38(60)53-32(42(64)55-16-4-9-33(55)40(62)49-27(22-56)7-3-15-48-43(46)47)23-65-17-6-10-35(58)50-29(19-25-11-13-26(44)14-12-25)37(59)51-30(39(61)54-36)20-28-8-5-18-66-28/h5,8,11-14,18,24,27,29-33,36,56H,3-4,6-7,9-10,15-17,19-23H2,1-2H3,(H2,45,57)(H,49,62)(H,50,58)(H,51,59)(H,52,63)(H,53,60)(H,54,61)(H4,46,47,48)/t27-,29+,30+,31+,32+,33+,36+/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.83E+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