BDBM50158529 CHEMBL3787586

SMILES: NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccc(Cl)cc12

InChI Key: InChIKey=RQDVODJHIRKKFP-UHFFFAOYSA-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 = 50158529   

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)	BDBM50158529 (CHEMBL3787586) Show SMILES NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccc(Cl)cc12 Show InChI InChI=1S/C14H10ClN3O3S/c15-8-4-5-12-11(6-8)13(14(19)18-12)17-9-2-1-3-10(7-9)22(16,20)21/h1-7H,(H2,16,20,21)(H,17,18,19)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	50	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))	BDBM50158529 (CHEMBL3787586) Show SMILES NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccc(Cl)cc12 Show InChI InChI=1S/C14H10ClN3O3S/c15-8-4-5-12-11(6-8)13(14(19)18-12)17-9-2-1-3-10(7-9)22(16,20)21/h1-7H,(H2,16,20,21)(H,17,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	55	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 1 (Homo sapiens (Human))	BDBM50158529 (CHEMBL3787586) Show SMILES NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccc(Cl)cc12 Show InChI InChI=1S/C14H10ClN3O3S/c15-8-4-5-12-11(6-8)13(14(19)18-12)17-9-2-1-3-10(7-9)22(16,20)21/h1-7H,(H2,16,20,21)(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	490	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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50158529 (CHEMBL3787586) Show SMILES NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccc(Cl)cc12 Show InChI InChI=1S/C14H10ClN3O3S/c15-8-4-5-12-11(6-8)13(14(19)18-12)17-9-2-1-3-10(7-9)22(16,20)21/h1-7H,(H2,16,20,21)(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	547	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