BDBM50150473 CHEMBL3769671

SMILES: Cc1cn(cn1)-c1ccc2Nc3nc(Cc4ccccc4)sc3CCc2c1

InChI Key: InChIKey=ZHNDWSFRNPTACV-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 = 50150473   

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))	BDBM50150473 (CHEMBL3769671) Show SMILES Cc1cn(cn1)-c1ccc2Nc3nc(Cc4ccccc4)sc3CCc2c1 Show InChI InChI=1S/C22H20N4S/c1-15-13-26(14-23-15)18-8-9-19-17(12-18)7-10-20-22(24-19)25-21(27-20)11-16-5-3-2-4-6-16/h2-6,8-9,12-14,24H,7,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 26: 1498-502 (2016) BindingDB Entry DOI: 10.7270/Q2CZ3910
					More data for this Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2 (Homo sapiens (Human))	BDBM50150473 (CHEMBL3769671) Show SMILES Cc1cn(cn1)-c1ccc2Nc3nc(Cc4ccccc4)sc3CCc2c1 Show InChI InChI=1S/C22H20N4S/c1-15-13-26(14-23-15)18-8-9-19-17(12-18)7-10-20-22(24-19)25-21(27-20)11-16-5-3-2-4-6-16/h2-6,8-9,12-14,24H,7,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production				Bioorg Med Chem Lett 26: 1498-502 (2016) BindingDB Entry DOI: 10.7270/Q2CZ3910
					More data for this Ligand-Target Pair