BDBM50030643 CHEMBL3354142

SMILES: Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccccc3Cl)ccc12

InChI Key: InChIKey=TWOJSRNSOHPSFO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50030643   

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))	BDBM50030643 (CHEMBL3354142) Show SMILES Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccccc3Cl)ccc12 Show InChI InChI=1S/C17H13ClN2O5S/c1-10-8-16(21)25-14-9-11(6-7-12(10)14)19-17(22)20-26(23,24)15-5-3-2-4-13(15)18/h2-9H,1H3,(H2,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method				J Med Chem 57: 9152-67 (2014) Article DOI: 10.1021/jm501314c BindingDB Entry DOI: 10.7270/Q2CV4K97
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50030643 (CHEMBL3354142) Show SMILES Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccccc3Cl)ccc12 Show InChI InChI=1S/C17H13ClN2O5S/c1-10-8-16(21)25-14-9-11(6-7-12(10)14)19-17(22)20-26(23,24)15-5-3-2-4-13(15)18/h2-9H,1H3,(H2,19,20,22)	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	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method				J Med Chem 57: 9152-67 (2014) Article DOI: 10.1021/jm501314c BindingDB Entry DOI: 10.7270/Q2CV4K97
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50030643 (CHEMBL3354142) Show SMILES Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccccc3Cl)ccc12 Show InChI InChI=1S/C17H13ClN2O5S/c1-10-8-16(21)25-14-9-11(6-7-12(10)14)19-17(22)20-26(23,24)15-5-3-2-4-13(15)18/h2-9H,1H3,(H2,19,20,22)	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	2.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method				J Med Chem 57: 9152-67 (2014) Article DOI: 10.1021/jm501314c BindingDB Entry DOI: 10.7270/Q2CV4K97
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50030643 (CHEMBL3354142) Show SMILES Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccccc3Cl)ccc12 Show InChI InChI=1S/C17H13ClN2O5S/c1-10-8-16(21)25-14-9-11(6-7-12(10)14)19-17(22)20-26(23,24)15-5-3-2-4-13(15)18/h2-9H,1H3,(H2,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method				J Med Chem 57: 9152-67 (2014) Article DOI: 10.1021/jm501314c BindingDB Entry DOI: 10.7270/Q2CV4K97
					More data for this Ligand-Target Pair