BDBM50029073 CHEMBL3343267

SMILES: NS(=O)(=O)c1ccc(CC\N=C\c2ccc(cc2)-c2ccccc2)cc1

InChI Key: InChIKey=OSECIGUYSNPJEB-XQNSMLJCSA-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 = 50029073   

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 9 (Homo sapiens (Human))	BDBM50029073 (CHEMBL3343267) Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C21H20N2O2S/c22-26(24,25)21-12-8-17(9-13-21)14-15-23-16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,16H,14-15H2,(H2,22,24,25)/b23-16+	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	244	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 CA-9 after 15 mins by stopped-flow CO2 hydration method				Bioorg Med Chem 22: 5883-90 (2014) Article DOI: 10.1016/j.bmc.2014.09.021 BindingDB Entry DOI: 10.7270/Q2W097J5
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50029073 (CHEMBL3343267) Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C21H20N2O2S/c22-26(24,25)21-12-8-17(9-13-21)14-15-23-16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,16H,14-15H2,(H2,22,24,25)/b23-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	307	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 CA-12 after 15 mins by stopped-flow CO2 hydration method				Bioorg Med Chem 22: 5883-90 (2014) Article DOI: 10.1016/j.bmc.2014.09.021 BindingDB Entry DOI: 10.7270/Q2W097J5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50029073 (CHEMBL3343267) Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C21H20N2O2S/c22-26(24,25)21-12-8-17(9-13-21)14-15-23-16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,16H,14-15H2,(H2,22,24,25)/b23-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	701	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 CA-2 after 15 mins by stopped-flow CO2 hydration method				Bioorg Med Chem 22: 5883-90 (2014) Article DOI: 10.1016/j.bmc.2014.09.021 BindingDB Entry DOI: 10.7270/Q2W097J5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50029073 (CHEMBL3343267) Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C21H20N2O2S/c22-26(24,25)21-12-8-17(9-13-21)14-15-23-16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,16H,14-15H2,(H2,22,24,25)/b23-16+	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	7.01E+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 CA-1 after 15 mins by stopped-flow CO2 hydration method				Bioorg Med Chem 22: 5883-90 (2014) Article DOI: 10.1016/j.bmc.2014.09.021 BindingDB Entry DOI: 10.7270/Q2W097J5
					More data for this Ligand-Target Pair