BDBM50460293 CHEMBL4225886

SMILES: COc1cc2ccc(cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc2CCOc12)C#N

InChI Key: InChIKey=MPKOAVPRMNLIOO-CYTLCNBWSA-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 = 50460293   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50460293 (CHEMBL4225886) Show SMILES COc1cc2ccc(cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc2CCOc12)C#N |r| Show InChI InChI=1S/C33H35N3O5/c1-36(2)15-13-33(37,27-8-6-7-22-12-16-41-30(22)27)29(25-11-14-35-32(40-5)31(25)39-4)26-18-24-17-21(20-34)9-10-23(24)19-28(26)38-3/h6-11,14,17-19,29,37H,12-13,15-16H2,1-5H3/t29-,33-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	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 patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50460293 (CHEMBL4225886) Show SMILES COc1cc2ccc(cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc2CCOc12)C#N |r| Show InChI InChI=1S/C33H35N3O5/c1-36(2)15-13-33(37,27-8-6-7-22-12-16-41-30(22)27)29(25-11-14-35-32(40-5)31(25)39-4)26-18-24-17-21(20-34)9-10-23(24)19-28(26)38-3/h6-11,14,17-19,29,37H,12-13,15-16H2,1-5H3/t29-,33-/m1/s1	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 in human liver microsomes after 20 mins				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair