BDBM50399079 CHEMBL2179308

SMILES: COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=DMXTVXWEGNJBRF-UHFFFAOYSA-N

Data: 15 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 15 hits for monomerid = 50399079   

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 2 (Homo sapiens (Human))	BDBM50399079 (CHEMBL2179308) Show SMILES COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O3S2/c1-23-13-4-7-15-16(8-13)24-10-11-9-19-20(17(11)15)12-2-5-14(6-3-12)25(18,21)22/h2-9H,10H2,1H3,(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50399079 (CHEMBL2179308) Show SMILES COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O3S2/c1-23-13-4-7-15-16(8-13)24-10-11-9-19-20(17(11)15)12-2-5-14(6-3-12)25(18,21)22/h2-9H,10H2,1H3,(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50399079 (CHEMBL2179308) Show SMILES COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O3S2/c1-23-13-4-7-15-16(8-13)24-10-11-9-19-20(17(11)15)12-2-5-14(6-3-12)25(18,21)22/h2-9H,10H2,1H3,(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	609	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA7 pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
β-Carbonic anhydrase 2 (CA 2) (Mycobacterium tuberculosis)	BDBM50399079 (CHEMBL2179308) Show SMILES COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O3S2/c1-23-13-4-7-15-16(8-13)24-10-11-9-19-20(17(11)15)12-2-5-14(6-3-12)25(18,21)22/h2-9H,10H2,1H3,(H2,18,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3588c pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (Mycobacterium tuberculosis)	BDBM50399079 (CHEMBL2179308) Show SMILES COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O3S2/c1-23-13-4-7-15-16(8-13)24-10-11-9-19-20(17(11)15)12-2-5-14(6-3-12)25(18,21)22/h2-9H,10H2,1H3,(H2,18,21,22)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic Anhydrase (mtCA 1) (Mycobacterium tuberculosis)	BDBM50399079 (CHEMBL2179308) Show SMILES COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O3S2/c1-23-13-4-7-15-16(8-13)24-10-11-9-19-20(17(11)15)12-2-5-14(6-3-12)25(18,21)22/h2-9H,10H2,1H3,(H2,18,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50399079 (CHEMBL2179308) Show SMILES COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O3S2/c1-23-13-4-7-15-16(8-13)24-10-11-9-19-20(17(11)15)12-2-5-14(6-3-12)25(18,21)22/h2-9H,10H2,1H3,(H2,18,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	923	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA5A pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50399079 (CHEMBL2179308) Show SMILES COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O3S2/c1-23-13-4-7-15-16(8-13)24-10-11-9-19-20(17(11)15)12-2-5-14(6-3-12)25(18,21)22/h2-9H,10H2,1H3,(H2,18,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	931	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant CA14 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM50399079 (CHEMBL2179308) Show SMILES COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O3S2/c1-23-13-4-7-15-16(8-13)24-10-11-9-19-20(17(11)15)12-2-5-14(6-3-12)25(18,21)22/h2-9H,10H2,1H3,(H2,18,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	938	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant CA13 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM50399079 (CHEMBL2179308) Show SMILES COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O3S2/c1-23-13-4-7-15-16(8-13)24-10-11-9-19-20(17(11)15)12-2-5-14(6-3-12)25(18,21)22/h2-9H,10H2,1H3,(H2,18,21,22)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA5B pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50399079 (CHEMBL2179308) Show SMILES COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O3S2/c1-23-13-4-7-15-16(8-13)24-10-11-9-19-20(17(11)15)12-2-5-14(6-3-12)25(18,21)22/h2-9H,10H2,1H3,(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50399079 (CHEMBL2179308) Show SMILES COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O3S2/c1-23-13-4-7-15-16(8-13)24-10-11-9-19-20(17(11)15)12-2-5-14(6-3-12)25(18,21)22/h2-9H,10H2,1H3,(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50399079 (CHEMBL2179308) Show SMILES COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O3S2/c1-23-13-4-7-15-16(8-13)24-10-11-9-19-20(17(11)15)12-2-5-14(6-3-12)25(18,21)22/h2-9H,10H2,1H3,(H2,18,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA6 pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50399079 (CHEMBL2179308) Show SMILES COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O3S2/c1-23-13-4-7-15-16(8-13)24-10-11-9-19-20(17(11)15)12-2-5-14(6-3-12)25(18,21)22/h2-9H,10H2,1H3,(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA4 pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM50399079 (CHEMBL2179308) Show SMILES COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O3S2/c1-23-13-4-7-15-16(8-13)24-10-11-9-19-20(17(11)15)12-2-5-14(6-3-12)25(18,21)22/h2-9H,10H2,1H3,(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA3 pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair