BDBM50008322 CHEMBL3235165

SMILES: NS(=O)(=O)c1ccc(cc1)N(Cc1ccccc1)\C=C\C(=O)C(F)(F)F

InChI Key: InChIKey=KIQVKBWTXHPBQD-ZHACJKMWSA-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 = 50008322   

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))	BDBM50008322 (CHEMBL3235165) Show SMILES NS(=O)(=O)c1ccc(cc1)N(Cc1ccccc1)\C=C\C(=O)C(F)(F)F Show InChI InChI=1S/C17H15F3N2O3S/c18-17(19,20)16(23)10-11-22(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)26(21,24)25/h1-11H,12H2,(H2,21,24,25)/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	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))	BDBM50008322 (CHEMBL3235165) Show SMILES NS(=O)(=O)c1ccc(cc1)N(Cc1ccccc1)\C=C\C(=O)C(F)(F)F Show InChI InChI=1S/C17H15F3N2O3S/c18-17(19,20)16(23)10-11-22(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)26(21,24)25/h1-11H,12H2,(H2,21,24,25)/b11-10+	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	39	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))	BDBM50008322 (CHEMBL3235165) Show SMILES NS(=O)(=O)c1ccc(cc1)N(Cc1ccccc1)\C=C\C(=O)C(F)(F)F Show InChI InChI=1S/C17H15F3N2O3S/c18-17(19,20)16(23)10-11-22(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)26(21,24)25/h1-11H,12H2,(H2,21,24,25)/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	276	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))	BDBM50008322 (CHEMBL3235165) Show SMILES NS(=O)(=O)c1ccc(cc1)N(Cc1ccccc1)\C=C\C(=O)C(F)(F)F Show InChI InChI=1S/C17H15F3N2O3S/c18-17(19,20)16(23)10-11-22(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)26(21,24)25/h1-11H,12H2,(H2,21,24,25)/b11-10+	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	302	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