BDBM50537183 CHEMBL4575859

SMILES: COc1ncccc1C(O)(CCN(C)C)C(c1cccc(C)c1)c1cc2cc(ccc2nc1OC)C#N

InChI Key: InChIKey=FHJFOPAQVGZAKG-UHFFFAOYSA-N

Data: 2 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 = 50537183   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50537183 (CHEMBL4575859) Show SMILES COc1ncccc1C(O)(CCN(C)C)C(c1cccc(C)c1)c1cc2cc(ccc2nc1OC)C#N Show InChI InChI=1S/C30H32N4O3/c1-20-8-6-9-22(16-20)27(24-18-23-17-21(19-31)11-12-26(23)33-28(24)36-4)30(35,13-15-34(2)3)25-10-7-14-32-29(25)37-5/h6-12,14,16-18,27,35H,13,15H2,1-5H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem 27: 1283-1291 (2019) Article DOI: 10.1016/j.bmc.2019.02.025
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50537183 (CHEMBL4575859) Show SMILES COc1ncccc1C(O)(CCN(C)C)C(c1cccc(C)c1)c1cc2cc(ccc2nc1OC)C#N Show InChI InChI=1S/C30H32N4O3/c1-20-8-6-9-22(16-20)27(24-18-23-17-21(19-31)11-12-26(23)33-28(24)36-4)30(35,13-15-34(2)3)25-10-7-14-32-29(25)37-5/h6-12,14,16-18,27,35H,13,15H2,1-5H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by manual patch clamp electrophysiology assay				Bioorg Med Chem 27: 1283-1291 (2019) Article DOI: 10.1016/j.bmc.2019.02.025
					More data for this Ligand-Target Pair