BDBM50008323 CHEMBL3235166

SMILES: NS(=O)(=O)c1ccc(cc1)N(Cc1ccc(Cl)cc1)\C=C\C(=O)C(F)(F)F

InChI Key: InChIKey=FHZADBSEPBDCSW-MDZDMXLPSA-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 = 50008323   

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))	BDBM50008323 (CHEMBL3235166) Show SMILES NS(=O)(=O)c1ccc(cc1)N(Cc1ccc(Cl)cc1)\C=C\C(=O)C(F)(F)F Show InChI InChI=1S/C17H14ClF3N2O3S/c18-13-3-1-12(2-4-13)11-23(10-9-16(24)17(19,20)21)14-5-7-15(8-6-14)27(22,25)26/h1-10H,11H2,(H2,22,25,26)/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydra...				Bioorg Med Chem Lett 24: 1776-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.030 BindingDB Entry DOI: 10.7270/Q25D8TC6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50008323 (CHEMBL3235166) Show SMILES NS(=O)(=O)c1ccc(cc1)N(Cc1ccc(Cl)cc1)\C=C\C(=O)C(F)(F)F Show InChI InChI=1S/C17H14ClF3N2O3S/c18-13-3-1-12(2-4-13)11-23(10-9-16(24)17(19,20)21)14-5-7-15(8-6-14)27(22,25)26/h1-10H,11H2,(H2,22,25,26)/b10-9+	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	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydras...				Bioorg Med Chem Lett 24: 1776-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.030 BindingDB Entry DOI: 10.7270/Q25D8TC6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50008323 (CHEMBL3235166) Show SMILES NS(=O)(=O)c1ccc(cc1)N(Cc1ccc(Cl)cc1)\C=C\C(=O)C(F)(F)F Show InChI InChI=1S/C17H14ClF3N2O3S/c18-13-3-1-12(2-4-13)11-23(10-9-16(24)17(19,20)21)14-5-7-15(8-6-14)27(22,25)26/h1-10H,11H2,(H2,22,25,26)/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	297	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 1776-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.030 BindingDB Entry DOI: 10.7270/Q25D8TC6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50008323 (CHEMBL3235166) Show SMILES NS(=O)(=O)c1ccc(cc1)N(Cc1ccc(Cl)cc1)\C=C\C(=O)C(F)(F)F Show InChI InChI=1S/C17H14ClF3N2O3S/c18-13-3-1-12(2-4-13)11-23(10-9-16(24)17(19,20)21)14-5-7-15(8-6-14)27(22,25)26/h1-10H,11H2,(H2,22,25,26)/b10-9+	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	405	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 1776-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.030 BindingDB Entry DOI: 10.7270/Q25D8TC6
					More data for this Ligand-Target Pair