BDBM50333708 CHEMBL1643735::N-tert-butyl-2-(1-(2-(tert-butylamino)-2-oxoethyl)-2-(4-(trifluoromethoxy)phenyl)-1H-indol-5-yl)-2-methylpropanamide

SMILES: CC(C)(C)NC(=O)Cn1c(cc2cc(ccc12)C(C)(C)C(=O)NC(C)(C)C)-c1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=CZSPPTVCJPFLSX-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 4 hits for monomerid = 50333708   

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
Pregnane X receptor (Homo sapiens (Human))	BDBM50333708 (CHEMBL1643735 | N-tert-butyl-2-(1-(2-(tert-butylam...) Show SMILES CC(C)(C)NC(=O)Cn1c(cc2cc(ccc12)C(C)(C)C(=O)NC(C)(C)C)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C29H36F3N3O3/c1-26(2,3)33-24(36)17-35-22-14-11-20(28(7,8)25(37)34-27(4,5)6)15-19(22)16-23(35)18-9-12-21(13-10-18)38-29(30,31)32/h9-16H,17H2,1-8H3,(H,33,36)(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity at PXR by induction assay				Bioorg Med Chem Lett 21: 869-73 (2011) Article DOI: 10.1016/j.bmcl.2010.11.067 BindingDB Entry DOI: 10.7270/Q2B27VJK
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50333708 (CHEMBL1643735 | N-tert-butyl-2-(1-(2-(tert-butylam...) Show SMILES CC(C)(C)NC(=O)Cn1c(cc2cc(ccc12)C(C)(C)C(=O)NC(C)(C)C)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C29H36F3N3O3/c1-26(2,3)33-24(36)17-35-22-14-11-20(28(7,8)25(37)34-27(4,5)6)15-19(22)16-23(35)18-9-12-21(13-10-18)38-29(30,31)32/h9-16H,17H2,1-8H3,(H,33,36)(H,34,37)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 21: 869-73 (2011) Article DOI: 10.1016/j.bmcl.2010.11.067 BindingDB Entry DOI: 10.7270/Q2B27VJK
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50333708 (CHEMBL1643735 | N-tert-butyl-2-(1-(2-(tert-butylam...) Show SMILES CC(C)(C)NC(=O)Cn1c(cc2cc(ccc12)C(C)(C)C(=O)NC(C)(C)C)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C29H36F3N3O3/c1-26(2,3)33-24(36)17-35-22-14-11-20(28(7,8)25(37)34-27(4,5)6)15-19(22)16-23(35)18-9-12-21(13-10-18)38-29(30,31)32/h9-16H,17H2,1-8H3,(H,33,36)(H,34,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 21: 869-73 (2011) Article DOI: 10.1016/j.bmcl.2010.11.067 BindingDB Entry DOI: 10.7270/Q2B27VJK
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50333708 (CHEMBL1643735 | N-tert-butyl-2-(1-(2-(tert-butylam...) Show SMILES CC(C)(C)NC(=O)Cn1c(cc2cc(ccc12)C(C)(C)C(=O)NC(C)(C)C)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C29H36F3N3O3/c1-26(2,3)33-24(36)17-35-22-14-11-20(28(7,8)25(37)34-27(4,5)6)15-19(22)16-23(35)18-9-12-21(13-10-18)38-29(30,31)32/h9-16H,17H2,1-8H3,(H,33,36)(H,34,37)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 869-73 (2011) Article DOI: 10.1016/j.bmcl.2010.11.067 BindingDB Entry DOI: 10.7270/Q2B27VJK
					More data for this Ligand-Target Pair