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BDBM50466884 CHEMBL4289186

SMILES: CCOc1ccc(OC)cc1C1(N2CCN(CC2)c2ccncc2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(OC)cn1

InChI Key: InChIKey=LYUZJXSMSLJYJZ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50466884   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50466884
PNG
(CHEMBL4289186)
Show SMILES CCOc1ccc(OC)cc1C1(N2CCN(CC2)c2ccncc2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(OC)cn1
Show InChI InChI=1S/C33H32N6O6S/c1-4-45-30-9-6-25(43-2)20-28(30)33(38-17-15-37(16-18-38)24-11-13-35-14-12-24)27-19-23(21-34)5-8-29(27)39(32(33)40)46(41,42)31-10-7-26(44-3)22-36-31/h5-14,19-20,22H,4,15-18H2,1-3H3
UniProtKB/SwissProt

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UniChem
Article
PubMed
 2n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cell membranes after 60 mins by TopCount microplate scintillation counti...

Bioorg Med Chem Lett 28: 3260-3264 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.043
BindingDB Entry DOI: 10.7270/Q2CC13CC
More data for this
Ligand-Target Pair