BDBM50386730 CHEMBL2048933

SMILES: COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=VCPPWFUNSXHCTM-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50386730   

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 XIV (Homo sapiens (Human))	BDBM50386730 (CHEMBL2048933) Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H19N3O5S2/c1-24-13-4-7-15-12(10-13)8-9-19(26(18,22)23)16(15)11-2-5-14(6-3-11)25(17,20)21/h2-7,10,16H,8-9H2,1H3,(H2,17,20,21)(H2,18,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA14-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50386730 (CHEMBL2048933) Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H19N3O5S2/c1-24-13-4-7-15-12(10-13)8-9-19(26(18,22)23)16(15)11-2-5-14(6-3-11)25(17,20)21/h2-7,10,16H,8-9H2,1H3,(H2,17,20,21)(H2,18,22,23)	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	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 catalytic domain-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50386730 (CHEMBL2048933) Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H19N3O5S2/c1-24-13-4-7-15-12(10-13)8-9-19(26(18,22)23)16(15)11-2-5-14(6-3-11)25(17,20)21/h2-7,10,16H,8-9H2,1H3,(H2,17,20,21)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA7-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50386730 (CHEMBL2048933) Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H19N3O5S2/c1-24-13-4-7-15-12(10-13)8-9-19(26(18,22)23)16(15)11-2-5-14(6-3-11)25(17,20)21/h2-7,10,16H,8-9H2,1H3,(H2,17,20,21)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50386730 (CHEMBL2048933) Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H19N3O5S2/c1-24-13-4-7-15-12(10-13)8-9-19(26(18,22)23)16(15)11-2-5-14(6-3-11)25(17,20)21/h2-7,10,16H,8-9H2,1H3,(H2,17,20,21)(H2,18,22,23)	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	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q
					More data for this Ligand-Target Pair