BDBM50158509 CHEMBL3785846

SMILES: NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O

InChI Key: InChIKey=RLXJPHKQQNQNJH-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 = 50158509   

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)	BDBM50158509 (CHEMBL3785846) Show SMILES NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C14H10N4O5S/c15-24(22,23)10-3-1-2-8(6-10)16-13-11-7-9(18(20)21)4-5-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	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))	BDBM50158509 (CHEMBL3785846) Show SMILES NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C14H10N4O5S/c15-24(22,23)10-3-1-2-8(6-10)16-13-11-7-9(18(20)21)4-5-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	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))	BDBM50158509 (CHEMBL3785846) Show SMILES NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C14H10N4O5S/c15-24(22,23)10-3-1-2-8(6-10)16-13-11-7-9(18(20)21)4-5-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	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))	BDBM50158509 (CHEMBL3785846) Show SMILES NS(=O)(=O)c1cccc(c1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C14H10N4O5S/c15-24(22,23)10-3-1-2-8(6-10)16-13-11-7-9(18(20)21)4-5-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)	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	378	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