BDBM50056354 CHEMBL3326577

SMILES: CCC1(CC)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2cc(F)ccc2O1

InChI Key: InChIKey=SQDHZRJWYDAANI-HXUWFJFHSA-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 = 50056354   

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))	BDBM50056354 (CHEMBL3326577) Show SMILES CCC1(CC)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C23H24FN3O2/c1-3-23(4-2)13-20(18-12-16(24)8-9-21(18)29-23)27-22(28)26-19-7-5-6-15-14-25-11-10-17(15)19/h5-12,14,20H,3-4,13H2,1-2H3,(H2,26,27,28)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using 7-benzyloxyquiniline substrate and NADPH incubated up to 2 hrs				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50056354 (CHEMBL3326577) Show SMILES CCC1(CC)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C23H24FN3O2/c1-3-23(4-2)13-20(18-12-16(24)8-9-21(18)29-23)27-22(28)26-19-7-5-6-15-14-25-11-10-17(15)19/h5-12,14,20H,3-4,13H2,1-2H3,(H2,26,27,28)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50056354 (CHEMBL3326577) Show SMILES CCC1(CC)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C23H24FN3O2/c1-3-23(4-2)13-20(18-12-16(24)8-9-21(18)29-23)27-22(28)26-19-7-5-6-15-14-25-11-10-17(15)19/h5-12,14,20H,3-4,13H2,1-2H3,(H2,26,27,28)/t20-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using AMMC substrate and NADPH incubated up to 2 hrs				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair