BDBM50163858 CHEMBL2443188::carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 7

SMILES: NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1

InChI Key: InChIKey=ZQEDEEFNLDNUEW-UHFFFAOYSA-N

Data: 42 Kd  12 K_off  12 K_on

PDB links: 3 PDB IDs match 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 66 hits for monomerid = 50163858   

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 7 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	8.60E+5	7.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as association rate constant at pH 7 by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	1.70E+6	8.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as association rate constant at pH 8 by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	1.80E+6	8.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as association rate constant at pH 8 by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	3.10E+5	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as association rate constant after 30 secs by surface plasmon resona...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	3.90E+5	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA2 expressed in Escherichia coli assessed as association rate constant after 30 secs by surface plasmon resona...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	3.70E+6	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA7 assessed as association rate constant after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	1.80E+6	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as association rate constant after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	1.60E+6	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as association rate constant after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	7.20E+5	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA13 assessed as association rate constant after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	4.40E+5	6.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as association rate constant at pH 6 by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	3.60E+5	6.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as association rate constant at pH 6 by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	1.80E+6	7.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as association rate constant at pH 7 by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	8.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 8 by surface pl...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	190	n/a	n/a	n/a	8.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 8 by surface pla...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	n/a	0.320	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation rate constant after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain by fluorescence-based thermal shift assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA7 after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.00840	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	n/a	0.00460	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA13 assessed as dissociation rate constant after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA13 after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA13 by fluorescence-based thermal shift assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.430	n/a	6.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation rate constant at pH 6 by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	6.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 6 by surface pl...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	940	n/a	n/a	n/a	6.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 6 by surface pla...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	n/a	0.310	n/a	6.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation rate constant at pH 6 by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	860	n/a	n/a	n/a	6.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 6 by surface p...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	6.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 6 by surface pl...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	n/a	0.180	n/a	7.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation rate constant at pH 7 by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	210	n/a	n/a	n/a	7.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 7 by surface p...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	270	n/a	n/a	n/a	7.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 7 by surface pl...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.300	n/a	7.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation rate constant at pH 7 by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	160	n/a	n/a	n/a	7.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 7 by surface pl...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	260	n/a	n/a	n/a	7.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 7 by surface pla...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.180	n/a	8.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation rate constant at pH 8 by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA1 expressed in Escherichia coli after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA1 expressed in Escherichia coli by fluorescence-based thermal shift assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.00420	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA2 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA7 by fluorescence-based thermal shift assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.260	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation rate constant after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA2 expressed in Escherichia coli after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA2 expressed in Escherichia coli by fluorescence-based thermal shift assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.0440	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA7 assessed as dissociation rate constant after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain by fluorescence-based thermal shift assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	n/a	0.200	n/a	8.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation rate constant at pH 8 by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	120	n/a	n/a	n/a	8.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 8 by surface p...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	19	n/a	n/a	n/a	8.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 8 by surface pl...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human full length His-tagged CA2 (1 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic thermodynamic ...				J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50163858 (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human CA9 catalytic domain expressed in mammalian expression system assessed as dissociation rate constant at pH 7 by SPR assay				J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408
					More data for this Ligand-Target Pair