BDBM50395384 CHEMBL2164734

SMILES: NS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=YFWOWWDUHIFYJS-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50395384   

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 1 (Homo sapiens (Human))	BDBM50395384 (CHEMBL2164734) Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H18N4O6S3/c15-25(19,20)13-5-1-11(2-6-13)9-10-17-26(21,22)14-7-3-12(4-8-14)18-27(16,23)24/h1-8,17-18H,9-10H2,(H2,15,19,20)(H2,16,23,24)	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	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of full length human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 55: 6776-83 (2012) Article DOI: 10.1021/jm300818k BindingDB Entry DOI: 10.7270/Q2736S2H
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50395384 (CHEMBL2164734) Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H18N4O6S3/c15-25(19,20)13-5-1-11(2-6-13)9-10-17-26(21,22)14-7-3-12(4-8-14)18-27(16,23)24/h1-8,17-18H,9-10H2,(H2,15,19,20)(H2,16,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 55: 6776-83 (2012) Article DOI: 10.1021/jm300818k BindingDB Entry DOI: 10.7270/Q2736S2H
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50395384 (CHEMBL2164734) Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H18N4O6S3/c15-25(19,20)13-5-1-11(2-6-13)9-10-17-26(21,22)14-7-3-12(4-8-14)18-27(16,23)24/h1-8,17-18H,9-10H2,(H2,15,19,20)(H2,16,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of full length human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 55: 6776-83 (2012) Article DOI: 10.1021/jm300818k BindingDB Entry DOI: 10.7270/Q2736S2H
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50395384 (CHEMBL2164734) Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H18N4O6S3/c15-25(19,20)13-5-1-11(2-6-13)9-10-17-26(21,22)14-7-3-12(4-8-14)18-27(16,23)24/h1-8,17-18H,9-10H2,(H2,15,19,20)(H2,16,23,24)	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
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 55: 6776-83 (2012) Article DOI: 10.1021/jm300818k BindingDB Entry DOI: 10.7270/Q2736S2H
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50395384 (CHEMBL2164734) Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H18N4O6S3/c15-25(19,20)13-5-1-11(2-6-13)9-10-17-26(21,22)14-7-3-12(4-8-14)18-27(16,23)24/h1-8,17-18H,9-10H2,(H2,15,19,20)(H2,16,23,24)	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	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of human CA1 using 4-nitrophenylacetate as substrate preincubated for 10 mins by spectrophotometric esterase assay				J Med Chem 55: 6776-83 (2012) Article DOI: 10.1021/jm300818k BindingDB Entry DOI: 10.7270/Q2736S2H
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50395384 (CHEMBL2164734) Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H18N4O6S3/c15-25(19,20)13-5-1-11(2-6-13)9-10-17-26(21,22)14-7-3-12(4-8-14)18-27(16,23)24/h1-8,17-18H,9-10H2,(H2,15,19,20)(H2,16,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of human CA2 using 4-nitrophenylacetate as substrate preincubated for 10 mins by spectrophotometric esterase assay				J Med Chem 55: 6776-83 (2012) Article DOI: 10.1021/jm300818k BindingDB Entry DOI: 10.7270/Q2736S2H
					More data for this Ligand-Target Pair