BDBM50466882 CHEMBL4280894

SMILES: CCOc1nc(Cl)ccc1C1(N2CCN(CC2)c2ccncc2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(OC)cn1

InChI Key: InChIKey=VBBBMBNPLKHHEO-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50466882   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50466882 (CHEMBL4280894) Show SMILES CCOc1nc(Cl)ccc1C1(N2CCN(CC2)c2ccncc2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(OC)cn1 Show InChI InChI=1S/C31H28ClN7O5S/c1-3-44-29-24(6-8-27(32)36-29)31(38-16-14-37(15-17-38)22-10-12-34-13-11-22)25-18-21(19-33)4-7-26(25)39(30(31)40)45(41,42)28-9-5-23(43-2)20-35-28/h4-13,18,20H,3,14-17H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50466882 (CHEMBL4280894) Show SMILES CCOc1nc(Cl)ccc1C1(N2CCN(CC2)c2ccncc2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(OC)cn1 Show InChI InChI=1S/C31H28ClN7O5S/c1-3-44-29-24(6-8-27(32)36-29)31(38-16-14-37(15-17-38)22-10-12-34-13-11-22)25-18-21(19-33)4-7-26(25)39(30(31)40)45(41,42)28-9-5-23(43-2)20-35-28/h4-13,18,20H,3,14-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes in presence of NADPH and Luciferin BE 50				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