BDBM50492469 CHEMBL2402773

SMILES: NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(Cl)c1

InChI Key: InChIKey=AATZUTDBJZAJGP-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 = 50492469   

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 (Homo sapiens (Human))	BDBM50492469 (CHEMBL2402773) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(Cl)c1 Show InChI InChI=1S/C14H12ClFN2O3S/c15-12-8-11(22(17,20)21)5-6-13(12)18-14(19)7-9-1-3-10(16)4-2-9/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 5228-32 (2013) Article DOI: 10.1016/j.bmc.2013.06.029 BindingDB Entry DOI: 10.7270/Q2CJ8HFM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492469 (CHEMBL2402773) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(Cl)c1 Show InChI InChI=1S/C14H12ClFN2O3S/c15-12-8-11(22(17,20)21)5-6-13(12)18-14(19)7-9-1-3-10(16)4-2-9/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins to 6 hrs by CO2 hydration stopped-flow assay				J Med Chem 56: 5773-81 (2013) Article DOI: 10.1021/jm400418p BindingDB Entry DOI: 10.7270/Q28W3H7J
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492469 (CHEMBL2402773) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(Cl)c1 Show InChI InChI=1S/C14H12ClFN2O3S/c15-12-8-11(22(17,20)21)5-6-13(12)18-14(19)7-9-1-3-10(16)4-2-9/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 5228-32 (2013) Article DOI: 10.1016/j.bmc.2013.06.029 BindingDB Entry DOI: 10.7270/Q2CJ8HFM
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50492469 (CHEMBL2402773) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(Cl)c1 Show InChI InChI=1S/C14H12ClFN2O3S/c15-12-8-11(22(17,20)21)5-6-13(12)18-14(19)7-9-1-3-10(16)4-2-9/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 5228-32 (2013) Article DOI: 10.1016/j.bmc.2013.06.029 BindingDB Entry DOI: 10.7270/Q2CJ8HFM
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50492469 (CHEMBL2402773) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(Cl)c1 Show InChI InChI=1S/C14H12ClFN2O3S/c15-12-8-11(22(17,20)21)5-6-13(12)18-14(19)7-9-1-3-10(16)4-2-9/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	254	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 5228-32 (2013) Article DOI: 10.1016/j.bmc.2013.06.029 BindingDB Entry DOI: 10.7270/Q2CJ8HFM
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50492469 (CHEMBL2402773) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(Cl)c1 Show InChI InChI=1S/C14H12ClFN2O3S/c15-12-8-11(22(17,20)21)5-6-13(12)18-14(19)7-9-1-3-10(16)4-2-9/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	254	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins to 6 hrs by CO2 hydration stopped-flow assay				J Med Chem 56: 5773-81 (2013) Article DOI: 10.1021/jm400418p BindingDB Entry DOI: 10.7270/Q28W3H7J
					More data for this Ligand-Target Pair