BDBM50440354 CHEMBL2425160

SMILES: COc1ccc(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1

InChI Key: InChIKey=SXSHRCRPTWSWQT-UHFFFAOYSA-N

Data: 6 IC50  1 Kd

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 7 hits for monomerid = 50440354   

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))	BDBM50440354 (CHEMBL2425160) Show SMILES COc1ccc(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H29N5O2/c1-18-6-13-22(14-7-18)32-24(16-23(31-32)27(2,3)4)30-26(33)29-21-11-8-19(9-12-21)20-10-15-25(34-5)28-17-20/h6-17H,1-5H3,(H2,29,30,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440354 (CHEMBL2425160) Show SMILES COc1ccc(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H29N5O2/c1-18-6-13-22(14-7-18)32-24(16-23(31-32)27(2,3)4)30-26(33)29-21-11-8-19(9-12-21)20-10-15-25(34-5)28-17-20/h6-17H,1-5H3,(H2,29,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50440354 (CHEMBL2425160) Show SMILES COc1ccc(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H29N5O2/c1-18-6-13-22(14-7-18)32-24(16-23(31-32)27(2,3)4)30-26(33)29-21-11-8-19(9-12-21)20-10-15-25(34-5)28-17-20/h6-17H,1-5H3,(H2,29,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50440354 (CHEMBL2425160) Show SMILES COc1ccc(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H29N5O2/c1-18-6-13-22(14-7-18)32-24(16-23(31-32)27(2,3)4)30-26(33)29-21-11-8-19(9-12-21)20-10-15-25(34-5)28-17-20/h6-17H,1-5H3,(H2,29,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity to FAK kinase (unknown origin) by surface plasmon resonance assay				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50440354 (CHEMBL2425160) Show SMILES COc1ccc(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H29N5O2/c1-18-6-13-22(14-7-18)32-24(16-23(31-32)27(2,3)4)30-26(33)29-21-11-8-19(9-12-21)20-10-15-25(34-5)28-17-20/h6-17H,1-5H3,(H2,29,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) using biotinylated-His-TEVhsFAK(31-686)(K454R) as substrate after 2 hrs by scintillation counting analysis				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50440354 (CHEMBL2425160) Show SMILES COc1ccc(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H29N5O2/c1-18-6-13-22(14-7-18)32-24(16-23(31-32)27(2,3)4)30-26(33)29-21-11-8-19(9-12-21)20-10-15-25(34-5)28-17-20/h6-17H,1-5H3,(H2,29,30,33)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50440354 (CHEMBL2425160) Show SMILES COc1ccc(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H29N5O2/c1-18-6-13-22(14-7-18)32-24(16-23(31-32)27(2,3)4)30-26(33)29-21-11-8-19(9-12-21)20-10-15-25(34-5)28-17-20/h6-17H,1-5H3,(H2,29,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair