BDBM50158511 CHEMBL3785209

SMILES: CN1C(=O)\C(=N/c2ccc(cc2)S(N)(=O)=O)c2ccccc12

InChI Key: InChIKey=NYAFQWXPHNYXPC-VKAVYKQESA-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 = 50158511   

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 (Candida glabrata)	BDBM50158511 (CHEMBL3785209) Show SMILES CN1C(=O)\C(=N/c2ccc(cc2)S(N)(=O)=O)c2ccccc12 Show InChI InChI=1S/C15H13N3O3S/c1-18-13-5-3-2-4-12(13)14(15(18)19)17-10-6-8-11(9-7-10)22(16,20)21/h2-9H,1H3,(H2,16,20,21)/b17-14-	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	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 recombinant Candida glabrata beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ...				Bioorg Med Chem 24: 1648-52 (2016) BindingDB Entry DOI: 10.7270/Q24Q7WW5
					More data for this Ligand-Target Pair
beta-Carbonic Anhydrase (Candida albicans (Yeast))	BDBM50158511 (CHEMBL3785209) Show SMILES CN1C(=O)\C(=N/c2ccc(cc2)S(N)(=O)=O)c2ccccc12 Show InChI InChI=1S/C15H13N3O3S/c1-18-13-5-3-2-4-12(13)14(15(18)19)17-10-6-8-11(9-7-10)22(16,20)21/h2-9H,1H3,(H2,16,20,21)/b17-14-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	76	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 recombinant Candida albicans beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ...				Bioorg Med Chem 24: 1648-52 (2016) BindingDB Entry DOI: 10.7270/Q24Q7WW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50158511 (CHEMBL3785209) Show SMILES CN1C(=O)\C(=N/c2ccc(cc2)S(N)(=O)=O)c2ccccc12 Show InChI InChI=1S/C15H13N3O3S/c1-18-13-5-3-2-4-12(13)14(15(18)19)17-10-6-8-11(9-7-10)22(16,20)21/h2-9H,1H3,(H2,16,20,21)/b17-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	549	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 recombinant human carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 1648-52 (2016) BindingDB Entry DOI: 10.7270/Q24Q7WW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50158511 (CHEMBL3785209) Show SMILES CN1C(=O)\C(=N/c2ccc(cc2)S(N)(=O)=O)c2ccccc12 Show InChI InChI=1S/C15H13N3O3S/c1-18-13-5-3-2-4-12(13)14(15(18)19)17-10-6-8-11(9-7-10)22(16,20)21/h2-9H,1H3,(H2,16,20,21)/b17-14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	586	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 recombinant human carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 1648-52 (2016) BindingDB Entry DOI: 10.7270/Q24Q7WW5
					More data for this Ligand-Target Pair