null

SMILES: CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12

InChI Key: InChIKey=MHWLWQUZZRMNGJ-UHFFFAOYSA-N

PDB links: 1 PDB ID matches 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 16 hits for monomerid = 21691   

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
DNA topoisomerase 4 subunit A [V210L]/B (Bacillus subtilis)	BDBM21691 (1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.09E+6	n/a	n/a	n/a	n/a	7.5	30
Microbiotix					Assay Description The 50% inhibitory concentration (IC50) is defined as the concentration of compound that inhibits the decatenation of kinetoplast DNA by 50%.				Antimicrob Agents Chemother 51: 119-27 (2007) Article DOI: 10.1128/AAC.01311-05 BindingDB Entry DOI: 10.7270/Q2988599
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM21691 (1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM21691 (1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Procter & Gamble Company US Patent					Assay Description A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...				US Patent US9138393 (2015) BindingDB Entry DOI: 10.7270/Q2GF0S8J
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM21691 (1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Procter & Gamble Company US Patent					Assay Description Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...				US Patent US9144538 (2015) BindingDB Entry DOI: 10.7270/Q22806DV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM21691 (1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as supercoiled plasmid DNA formation after 30 mins by electrophoretic analysis				J Med Chem 57: 8398-420 (2014) Article DOI: 10.1021/jm500853v BindingDB Entry DOI: 10.7270/Q25M679K
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM21691 (1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of DNA gyrase supercoiling in Escherichia coli.				Bioorg Med Chem Lett 8: 97-100 (1998) BindingDB Entry DOI: 10.7270/Q25141DT
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM21691 (1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	2.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro antibacterial activity was determined as inhibitory concentration causing 50% DNA-gyrase supercoiling inhibition (SCI)				Citation and Details BindingDB Entry DOI: 10.7270/Q2FX7CM7
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM21691 (1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human))	BDBM21691 (1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human))	BDBM21691 (1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human))	BDBM21691 (1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
DNA topoisomerase 2-beta (Homo sapiens (Human))	BDBM21691 (1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of supercoiling activity of DNA gyrase in Escherichia coli				J Med Chem 40: 3292-6 (1997) Article DOI: 10.1021/jm9701583 BindingDB Entry DOI: 10.7270/Q2FJ2KHP
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli)	BDBM21691 (1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie-Paris 6 Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase GyrA/GyrB				Antimicrob Agents Chemother 52: 2909-14 (2008) Article DOI: 10.1128/AAC.01380-07 BindingDB Entry DOI: 10.7270/Q2862K8J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM21691 (1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.75E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie-Paris 6 Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase GyrA/GyrB				Antimicrob Agents Chemother 52: 2909-14 (2008) Article DOI: 10.1128/AAC.01380-07 BindingDB Entry DOI: 10.7270/Q2862K8J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM21691 (1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase super-coiling activity using pBR322 DNA as substrate after 30 mins by fluorescence assay				Eur J Med Chem 174: 1-8 (2019) Article DOI: 10.1016/j.ejmech.2019.04.033 BindingDB Entry DOI: 10.7270/Q2TB1B6Q
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Bacillus subtilis)	BDBM21691 (1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.49E+5	n/a	n/a	n/a	n/a	7.5	30
Microbiotix					Assay Description The 50% inhibitory concentration (IC50) is defined as the concentration of compound that inhibits the decatenation of kinetoplast DNA by 50%.				Antimicrob Agents Chemother 51: 119-27 (2007) Article DOI: 10.1128/AAC.01311-05 BindingDB Entry DOI: 10.7270/Q2988599
					More data for this Ligand-Target Pair