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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 = 'BDBM301696'   
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))		BDBM301696
PNG
(US10131692, Compound 28)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=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/C45H65ClN12O10S2/c1-4-50-38(62)29(9-5-15-51-45(48)49)53-42(66)34-19-27(59)22-58(34)44(68)33-23-69-16-7-10-36(61)52-30(18-25-11-13-26(46)14-12-25)39(63)54-31(20-28-8-6-17-70-28)41(65)57-37(24(2)3)43(67)55-32(21-35(47)60)40(64)56-33/h6,8,11-14,17,24,27,29-34,37,59H,4-5,7,9-10,15-16,18-23H2,1-3H3,(H2,47,60)(H,50,62)(H,52,61)(H,53,66)(H,54,63)(H,55,67)(H,56,64)(H,57,65)(H4,48,49,51)/t27-,29-,30+,31+,32+,33+,34+,37+/m1/s1
UniProtKB/SwissProt

antibodypedia
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KEGG
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