BDBM239155 7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-methylcoumarine (1a)

SMILES: Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O

InChI Key: InChIKey=DZSMNKZDRKEEQX-UHFFFAOYSA-N

Data: 11 KI

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 11 hits for monomerid = 239155   

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
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	370	-8.15	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	380	-8.14	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	390	-8.12	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	420	-8.08	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	460	-8.03	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	840	-7.70	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	930	-7.64	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>2.00E+5	>-4.69	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>2.00E+5	>-4.69	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>2.00E+5	>-4.69	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>2.00E+5	>-4.69	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair