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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 = 'BDBM301702'   
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))		BDBM301702
PNG
(US10131692, Compound 34)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
Show InChI InChI=1S/C43H61ClN12O9S3/c1-4-48-36(59)27(8-5-14-49-43(46)47)51-40(63)32-21-67-22-56(32)42(65)31-20-66-16-13-34(58)50-28(17-24-9-11-25(44)12-10-24)37(60)52-29(18-26-7-6-15-68-26)39(62)55-35(23(2)3)41(64)53-30(19-33(45)57)38(61)54-31/h6-7,9-12,15,23,27-32,35H,4-5,8,13-14,16-22H2,1-3H3,(H2,45,57)(H,48,59)(H,50,58)(H,51,63)(H,52,60)(H,53,64)(H,54,61)(H,55,62)(H4,46,47,49)/t27-,28+,29+,30+,31+,32+,35+/m1/s1
UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.02E+4n/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