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BDBM50466873 CHEMBL4292610

SMILES: CCOc1ccc(OC)cc1C1(N2CCN(CC2)c2ccncc2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(OC)c2cccnc12

InChI Key: InChIKey=FKCDNXBPCBYUIK-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50466873   
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))		BDBM50466873
PNG
(CHEMBL4292610)
Show SMILES CCOc1ccc(OC)cc1C1(N2CCN(CC2)c2ccncc2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(OC)c2cccnc12
Show InChI InChI=1S/C37H34N6O6S/c1-4-49-33-10-8-27(47-2)23-30(33)37(42-20-18-41(19-21-42)26-13-16-39-17-14-26)29-22-25(24-38)7-9-31(29)43(36(37)44)50(45,46)34-12-11-32(48-3)28-6-5-15-40-35(28)34/h5-17,22-23H,4,18-21H2,1-3H3
UniProtKB/SwissProt

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UniChem
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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