BDBM8732 (2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide::(E)-N-Methyl-N-(1-methyl-1H-indol-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide::indole naphthyridinone 21

SMILES: CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc2NC(=O)CCc2c1

InChI Key: InChIKey=TVPFKRZTBLHFFW-JXMROGBWSA-N

Data: 5 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 5 hits for monomerid = 8732   

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
Enoyl-ACP Reductase (FabI) (Staphylococcus aureus)	BDBM8732 ((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-25(14-18-12-16-5-3-4-6-19(16)26(18)2)21(28)10-7-15-11-17-8-9-20(27)24-22(17)23-13-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	6.5	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-ACP Reductase (FabI) (Haemophilus influenzae)	BDBM8732 ((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-25(14-18-12-16-5-3-4-6-19(16)26(18)2)21(28)10-7-15-11-17-8-9-20(27)24-22(17)23-13-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 46: 1627-35 (2003) Article DOI: 10.1021/jm0204035 BindingDB Entry DOI: 10.7270/Q2DB8018
					More data for this Ligand-Target Pair
Enoyl-ACP Reductase (FabI) (Escherichia coli)	BDBM8732 ((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-25(14-18-12-16-5-3-4-6-19(16)26(18)2)21(28)10-7-15-11-17-8-9-20(27)24-22(17)23-13-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
Affinium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli FabI assessed as effect on NAD(P)H consumption				Bioorg Med Chem Lett 19: 5355-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.129 BindingDB Entry DOI: 10.7270/Q21G0Q2B
					More data for this Ligand-Target Pair
Enoyl-ACP Reductase (FabI) (Staphylococcus aureus)	BDBM8732 ((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-25(14-18-12-16-5-3-4-6-19(16)26(18)2)21(28)10-7-15-11-17-8-9-20(27)24-22(17)23-13-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Affinium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI				Bioorg Med Chem Lett 19: 5355-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.129 BindingDB Entry DOI: 10.7270/Q21G0Q2B
					More data for this Ligand-Target Pair
Enoyl-ACP Reductase (FabI) (Escherichia coli)	BDBM8732 ((2E)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3...) Show SMILES CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C22H22N4O2/c1-25(14-18-12-16-5-3-4-6-19(16)26(18)2)21(28)10-7-15-11-17-8-9-20(27)24-22(17)23-13-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Affinium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli FabI				Bioorg Med Chem Lett 19: 5359-62 (2009) Article DOI: 10.1016/j.bmcl.2009.07.094 BindingDB Entry DOI: 10.7270/Q2571FT3
					More data for this Ligand-Target Pair