BDBM50492471 CHEMBL2402764

SMILES: COc1ccc(CC(=O)Nc2nnc(s2)S(N)(=O)=O)cc1

InChI Key: InChIKey=DFEXODLDSRVQHQ-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 = 50492471   

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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50492471 (CHEMBL2402764) Show SMILES COc1ccc(CC(=O)Nc2nnc(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C11H12N4O4S2/c1-19-8-4-2-7(3-5-8)6-9(16)13-10-14-15-11(20-10)21(12,17)18/h2-5H,6H2,1H3,(H2,12,17,18)(H,13,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	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))	BDBM50492471 (CHEMBL2402764) Show SMILES COc1ccc(CC(=O)Nc2nnc(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C11H12N4O4S2/c1-19-8-4-2-7(3-5-8)6-9(16)13-10-14-15-11(20-10)21(12,17)18/h2-5H,6H2,1H3,(H2,12,17,18)(H,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.630	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))	BDBM50492471 (CHEMBL2402764) Show SMILES COc1ccc(CC(=O)Nc2nnc(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C11H12N4O4S2/c1-19-8-4-2-7(3-5-8)6-9(16)13-10-14-15-11(20-10)21(12,17)18/h2-5H,6H2,1H3,(H2,12,17,18)(H,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.760	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))	BDBM50492471 (CHEMBL2402764) Show SMILES COc1ccc(CC(=O)Nc2nnc(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C11H12N4O4S2/c1-19-8-4-2-7(3-5-8)6-9(16)13-10-14-15-11(20-10)21(12,17)18/h2-5H,6H2,1H3,(H2,12,17,18)(H,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.760	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 anhydrase (Homo sapiens (Human))	BDBM50492471 (CHEMBL2402764) Show SMILES COc1ccc(CC(=O)Nc2nnc(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C11H12N4O4S2/c1-19-8-4-2-7(3-5-8)6-9(16)13-10-14-15-11(20-10)21(12,17)18/h2-5H,6H2,1H3,(H2,12,17,18)(H,13,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	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
Carbonic anhydrase (Homo sapiens (Human))	BDBM50492471 (CHEMBL2402764) Show SMILES COc1ccc(CC(=O)Nc2nnc(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C11H12N4O4S2/c1-19-8-4-2-7(3-5-8)6-9(16)13-10-14-15-11(20-10)21(12,17)18/h2-5H,6H2,1H3,(H2,12,17,18)(H,13,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	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