BDBM50318596 3-((4-(6-Bromo-2-(4-(4-methylpiperazin-1-yl)phenyl)-3H-imidazo-[4,5-b]pyridin-7-yl)piperazin-1-yl)methyl)-5-methylisoxazole::CHEMBL1086579

SMILES: CN1CCN(CC1)c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1

InChI Key: InChIKey=FZTUPODAEPTYNG-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50318596   

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
Aurora kinase B (Homo sapiens (Human))	BDBM50318596 (3-((4-(6-Bromo-2-(4-(4-methylpiperazin-1-yl)phenyl...) Show SMILES CN1CCN(CC1)c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 Show InChI InChI=1S/C20H27BrN8O/c1-14-11-15(25-30-14)13-27-5-9-28(10-6-27)18-16(21)12-22-19-17(18)23-20(24-19)29-7-3-26(2)4-8-29/h11-12H,3-10,13H2,1-2H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora B expressed in baculovirus system				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50318596 (3-((4-(6-Bromo-2-(4-(4-methylpiperazin-1-yl)phenyl...) Show SMILES CN1CCN(CC1)c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 Show InChI InChI=1S/C20H27BrN8O/c1-14-11-15(25-30-14)13-27-5-9-28(10-6-27)18-16(21)12-22-19-17(18)23-20(24-19)29-7-3-26(2)4-8-29/h11-12H,3-10,13H2,1-2H3,(H,22,23,24)	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
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP2A6 from human liver microsome by LC-MS/MS analysis				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Aurora kinase C (Homo sapiens (Human))	BDBM50318596 (3-((4-(6-Bromo-2-(4-(4-methylpiperazin-1-yl)phenyl...) Show SMILES CN1CCN(CC1)c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 Show InChI InChI=1S/C20H27BrN8O/c1-14-11-15(25-30-14)13-27-5-9-28(10-6-27)18-16(21)12-22-19-17(18)23-20(24-19)29-7-3-26(2)4-8-29/h11-12H,3-10,13H2,1-2H3,(H,22,23,24)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora C expressed in baculovirus system				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50318596 (3-((4-(6-Bromo-2-(4-(4-methylpiperazin-1-yl)phenyl...) Show SMILES CN1CCN(CC1)c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 Show InChI InChI=1S/C20H27BrN8O/c1-14-11-15(25-30-14)13-27-5-9-28(10-6-27)18-16(21)12-22-19-17(18)23-20(24-19)29-7-3-26(2)4-8-29/h11-12H,3-10,13H2,1-2H3,(H,22,23,24)	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
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP1A2 from human liver microsome by LC-MS/MS analysis				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50318596 (3-((4-(6-Bromo-2-(4-(4-methylpiperazin-1-yl)phenyl...) Show SMILES CN1CCN(CC1)c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 Show InChI InChI=1S/C20H27BrN8O/c1-14-11-15(25-30-14)13-27-5-9-28(10-6-27)18-16(21)12-22-19-17(18)23-20(24-19)29-7-3-26(2)4-8-29/h11-12H,3-10,13H2,1-2H3,(H,22,23,24)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A expressed in baculovirus system				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50318596 (3-((4-(6-Bromo-2-(4-(4-methylpiperazin-1-yl)phenyl...) Show SMILES CN1CCN(CC1)c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 Show InChI InChI=1S/C20H27BrN8O/c1-14-11-15(25-30-14)13-27-5-9-28(10-6-27)18-16(21)12-22-19-17(18)23-20(24-19)29-7-3-26(2)4-8-29/h11-12H,3-10,13H2,1-2H3,(H,22,23,24)	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
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP2C19 from human liver microsome by LC-MS/MS analysis				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50318596 (3-((4-(6-Bromo-2-(4-(4-methylpiperazin-1-yl)phenyl...) Show SMILES CN1CCN(CC1)c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 Show InChI InChI=1S/C20H27BrN8O/c1-14-11-15(25-30-14)13-27-5-9-28(10-6-27)18-16(21)12-22-19-17(18)23-20(24-19)29-7-3-26(2)4-8-29/h11-12H,3-10,13H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt 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
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP2D6 from human liver microsome by LC-MS/MS analysis				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50318596 (3-((4-(6-Bromo-2-(4-(4-methylpiperazin-1-yl)phenyl...) Show SMILES CN1CCN(CC1)c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 Show InChI InChI=1S/C20H27BrN8O/c1-14-11-15(25-30-14)13-27-5-9-28(10-6-27)18-16(21)12-22-19-17(18)23-20(24-19)29-7-3-26(2)4-8-29/h11-12H,3-10,13H2,1-2H3,(H,22,23,24)	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
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4 from human liver microsome by LC-MS/MS analysis				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50318596 (3-((4-(6-Bromo-2-(4-(4-methylpiperazin-1-yl)phenyl...) Show SMILES CN1CCN(CC1)c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 Show InChI InChI=1S/C20H27BrN8O/c1-14-11-15(25-30-14)13-27-5-9-28(10-6-27)18-16(21)12-22-19-17(18)23-20(24-19)29-7-3-26(2)4-8-29/h11-12H,3-10,13H2,1-2H3,(H,22,23,24)	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50318596 (3-((4-(6-Bromo-2-(4-(4-methylpiperazin-1-yl)phenyl...) Show SMILES CN1CCN(CC1)c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1 Show InChI InChI=1S/C20H27BrN8O/c1-14-11-15(25-30-14)13-27-5-9-28(10-6-27)18-16(21)12-22-19-17(18)23-20(24-19)29-7-3-26(2)4-8-29/h11-12H,3-10,13H2,1-2H3,(H,22,23,24)	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
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP2C9 from human liver microsome by LC-MS/MS analysis				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair