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SMILES: COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)C(C)=O

InChI Key: InChIKey=NXBWJJHYCRESQC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50107373   

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))	BDBM50107373 (CHEMBL3601461) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)C(C)=O |t:9| Show InChI InChI=1S/C22H22ClN5O4S/c1-13-21(22(23)28(25-13)16-6-10-18(11-7-16)33(24,30)31)20-12-19(26-27(20)14(2)29)15-4-8-17(32-3)9-5-15/h4-11,20H,12H2,1-3H3,(H2,24,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 25: 3208-12 (2015) BindingDB Entry DOI: 10.7270/Q2PC345N
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50107373 (CHEMBL3601461) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)C(C)=O |t:9| Show InChI InChI=1S/C22H22ClN5O4S/c1-13-21(22(23)28(25-13)16-6-10-18(11-7-16)33(24,30)31)20-12-19(26-27(20)14(2)29)15-4-8-17(32-3)9-5-15/h4-11,20H,12H2,1-3H3,(H2,24,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 25: 3208-12 (2015) BindingDB Entry DOI: 10.7270/Q2PC345N
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50107373 (CHEMBL3601461) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)C(C)=O |t:9| Show InChI InChI=1S/C22H22ClN5O4S/c1-13-21(22(23)28(25-13)16-6-10-18(11-7-16)33(24,30)31)20-12-19(26-27(20)14(2)29)15-4-8-17(32-3)9-5-15/h4-11,20H,12H2,1-3H3,(H2,24,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 25: 3208-12 (2015) BindingDB Entry DOI: 10.7270/Q2PC345N
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50107373 (CHEMBL3601461) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)C(C)=O |t:9| Show InChI InChI=1S/C22H22ClN5O4S/c1-13-21(22(23)28(25-13)16-6-10-18(11-7-16)33(24,30)31)20-12-19(26-27(20)14(2)29)15-4-8-17(32-3)9-5-15/h4-11,20H,12H2,1-3H3,(H2,24,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 25: 3208-12 (2015) BindingDB Entry DOI: 10.7270/Q2PC345N
					More data for this Ligand-Target Pair