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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 = 'BDBM301683'   
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))		BDBM301683
PNG
(US10131692, Compound 15)
Show SMILES CC(C)NC(=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/C46H67ClN12O10S2/c1-24(2)38-44(68)56-33(21-36(48)61)41(65)57-34(45(69)59-22-28(60)19-35(59)43(67)54-30(39(63)52-25(3)4)9-5-15-51-46(49)50)23-70-16-7-10-37(62)53-31(18-26-11-13-27(47)14-12-26)40(64)55-32(42(66)58-38)20-29-8-6-17-71-29/h6,8,11-14,17,24-25,28,30-35,38,60H,5,7,9-10,15-16,18-23H2,1-4H3,(H2,48,61)(H,52,63)(H,53,62)(H,54,67)(H,55,64)(H,56,68)(H,57,65)(H,58,66)(H4,49,50,51)/t28-,30-,31+,32+,33+,34+,35+,38+/m1/s1
UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.77E+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