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SMILES: OC(=O)c1cc([nH]n1)-c1ccc2CCCCc2c1

InChI Key: InChIKey=PEPVAEZJYAPIBA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50096135   

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 12 (Homo sapiens (Human))	BDBM50096135 (CHEMBL3593611) Show SMILES OC(=O)c1cc([nH]n1)-c1ccc2CCCCc2c1 Show InChI InChI=1S/C14H14N2O2/c17-14(18)13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H,15,16)(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4649-59 (2015) Article DOI: 10.1016/j.bmc.2015.05.052 BindingDB Entry DOI: 10.7270/Q2X068SW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50096135 (CHEMBL3593611) Show SMILES OC(=O)c1cc([nH]n1)-c1ccc2CCCCc2c1 Show InChI InChI=1S/C14H14N2O2/c17-14(18)13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H,15,16)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4649-59 (2015) Article DOI: 10.1016/j.bmc.2015.05.052 BindingDB Entry DOI: 10.7270/Q2X068SW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50096135 (CHEMBL3593611) Show SMILES OC(=O)c1cc([nH]n1)-c1ccc2CCCCc2c1 Show InChI InChI=1S/C14H14N2O2/c17-14(18)13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H,15,16)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4649-59 (2015) Article DOI: 10.1016/j.bmc.2015.05.052 BindingDB Entry DOI: 10.7270/Q2X068SW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50096135 (CHEMBL3593611) Show SMILES OC(=O)c1cc([nH]n1)-c1ccc2CCCCc2c1 Show InChI InChI=1S/C14H14N2O2/c17-14(18)13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H,15,16)(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4649-59 (2015) Article DOI: 10.1016/j.bmc.2015.05.052 BindingDB Entry DOI: 10.7270/Q2X068SW
					More data for this Ligand-Target Pair