BDBM50345250 5-bromo-7-(piperidin-4-ylmethylamino)benzofuran-2-carboxylic acid::CHEMBL1782521

SMILES: OC(=O)c1cc2cc(Br)cc(NCC3CCNCC3)c2o1

InChI Key: InChIKey=JPSRNNAKSXAWPL-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50345250   

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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50345250 (5-bromo-7-(piperidin-4-ylmethylamino)benzofuran-2-...) Show SMILES OC(=O)c1cc2cc(Br)cc(NCC3CCNCC3)c2o1 Show InChI InChI=1S/C15H17BrN2O3/c16-11-5-10-6-13(15(19)20)21-14(10)12(7-11)18-8-9-1-3-17-4-2-9/h5-7,9,17-18H,1-4,8H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method				Bioorg Med Chem Lett 21: 3050-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.030 BindingDB Entry DOI: 10.7270/Q2ZP46GG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50345250 (5-bromo-7-(piperidin-4-ylmethylamino)benzofuran-2-...) Show SMILES OC(=O)c1cc2cc(Br)cc(NCC3CCNCC3)c2o1 Show InChI InChI=1S/C15H17BrN2O3/c16-11-5-10-6-13(15(19)20)21-14(10)12(7-11)18-8-9-1-3-17-4-2-9/h5-7,9,17-18H,1-4,8H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Inhibition of human Pim2 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 90 mins by off-chip mobility shift method				Bioorg Med Chem Lett 21: 3050-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.030 BindingDB Entry DOI: 10.7270/Q2ZP46GG
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50345250 (5-bromo-7-(piperidin-4-ylmethylamino)benzofuran-2-...) Show SMILES OC(=O)c1cc2cc(Br)cc(NCC3CCNCC3)c2o1 Show InChI InChI=1S/C15H17BrN2O3/c16-11-5-10-6-13(15(19)20)21-14(10)12(7-11)18-8-9-1-3-17-4-2-9/h5-7,9,17-18H,1-4,8H2,(H,19,20)	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
Genzyme Corp. Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes				Bioorg Med Chem Lett 21: 3050-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.030 BindingDB Entry DOI: 10.7270/Q2ZP46GG
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50345250 (5-bromo-7-(piperidin-4-ylmethylamino)benzofuran-2-...) Show SMILES OC(=O)c1cc2cc(Br)cc(NCC3CCNCC3)c2o1 Show InChI InChI=1S/C15H17BrN2O3/c16-11-5-10-6-13(15(19)20)21-14(10)12(7-11)18-8-9-1-3-17-4-2-9/h5-7,9,17-18H,1-4,8H2,(H,19,20)	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
Genzyme Corp. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				Bioorg Med Chem Lett 21: 3050-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.030 BindingDB Entry DOI: 10.7270/Q2ZP46GG
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50345250 (5-bromo-7-(piperidin-4-ylmethylamino)benzofuran-2-...) Show SMILES OC(=O)c1cc2cc(Br)cc(NCC3CCNCC3)c2o1 Show InChI InChI=1S/C15H17BrN2O3/c16-11-5-10-6-13(15(19)20)21-14(10)12(7-11)18-8-9-1-3-17-4-2-9/h5-7,9,17-18H,1-4,8H2,(H,19,20)	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
Genzyme Corp. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes				Bioorg Med Chem Lett 21: 3050-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.030 BindingDB Entry DOI: 10.7270/Q2ZP46GG
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50345250 (5-bromo-7-(piperidin-4-ylmethylamino)benzofuran-2-...) Show SMILES OC(=O)c1cc2cc(Br)cc(NCC3CCNCC3)c2o1 Show InChI InChI=1S/C15H17BrN2O3/c16-11-5-10-6-13(15(19)20)21-14(10)12(7-11)18-8-9-1-3-17-4-2-9/h5-7,9,17-18H,1-4,8H2,(H,19,20)	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
Genzyme Corp. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				Bioorg Med Chem Lett 21: 3050-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.030 BindingDB Entry DOI: 10.7270/Q2ZP46GG
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50345250 (5-bromo-7-(piperidin-4-ylmethylamino)benzofuran-2-...) Show SMILES OC(=O)c1cc2cc(Br)cc(NCC3CCNCC3)c2o1 Show InChI InChI=1S/C15H17BrN2O3/c16-11-5-10-6-13(15(19)20)21-14(10)12(7-11)18-8-9-1-3-17-4-2-9/h5-7,9,17-18H,1-4,8H2,(H,19,20)	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
Genzyme Corp. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 21: 3050-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.030 BindingDB Entry DOI: 10.7270/Q2ZP46GG
					More data for this Ligand-Target Pair