BDBM50434279 CHEMBL2386162

SMILES: COc1ccc(O[C@@H](CC(C)C)[C@H]2CCNC2)c(C)n1

InChI Key: InChIKey=SNNRWIBSGBMYRF-ZFWWWQNUSA-N

Data: 3 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 3 hits for monomerid = 50434279   

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 2D6 (Homo sapiens (Human))	BDBM50434279 (CHEMBL2386162) Show SMILES COc1ccc(O[C@@H](CC(C)C)[C@H]2CCNC2)c(C)n1 |r| Show InChI InChI=1S/C16H26N2O2/c1-11(2)9-15(13-7-8-17-10-13)20-14-5-6-16(19-4)18-12(14)3/h5-6,11,13,15,17H,7-10H2,1-4H3/t13-,15-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL 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
Eli Lilly and Company Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				ACS Med Chem Lett 4: 560-4 (2013) Article DOI: 10.1021/ml400049p BindingDB Entry DOI: 10.7270/Q2PG1T39
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50434279 (CHEMBL2386162) Show SMILES COc1ccc(O[C@@H](CC(C)C)[C@H]2CCNC2)c(C)n1 |r| Show InChI InChI=1S/C16H26N2O2/c1-11(2)9-15(13-7-8-17-10-13)20-14-5-6-16(19-4)18-12(14)3/h5-6,11,13,15,17H,7-10H2,1-4H3/t13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Eli Lilly and Company Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				ACS Med Chem Lett 4: 560-4 (2013) Article DOI: 10.1021/ml400049p BindingDB Entry DOI: 10.7270/Q2PG1T39
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50434279 (CHEMBL2386162) Show SMILES COc1ccc(O[C@@H](CC(C)C)[C@H]2CCNC2)c(C)n1 |r| Show InChI InChI=1S/C16H26N2O2/c1-11(2)9-15(13-7-8-17-10-13)20-14-5-6-16(19-4)18-12(14)3/h5-6,11,13,15,17H,7-10H2,1-4H3/t13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Eli Lilly and Company Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 4: 560-4 (2013) Article DOI: 10.1021/ml400049p BindingDB Entry DOI: 10.7270/Q2PG1T39
					More data for this Ligand-Target Pair