BDBM50406296 CHEMBL145012

SMILES: O=c1oc(OCc2ccccc2)nc2ccccc12

InChI Key: InChIKey=XGGBVRLLWXYLJS-UHFFFAOYSA-N

Data: 1 KI  1 IC50  1 K_off  1 K_on

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 2 hits for monomerid = 50406296   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50406296 (CHEMBL145012) Show SMILES O=c1oc(OCc2ccccc2)nc2ccccc12 Show InChI InChI=1S/C15H11NO3/c17-14-12-8-4-5-9-13(12)16-15(19-14)18-10-11-6-2-1-3-7-11/h1-9H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50.1	n/a	n/a	n/a	n/a	0.00112	2.00E+4	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Component deacylation rate constant for interaction with human leukocyte elastase				J Med Chem 33: 464-79 (1990) Checked by Author BindingDB Entry DOI: 10.7270/Q2PR7X6X
					More data for this Ligand-Target Pair
Rhomboid protease GluP (Bacillus subtilis (strain 168))	BDBM50406296 (CHEMBL145012) Show SMILES O=c1oc(OCc2ccccc2)nc2ccccc12 Show InChI InChI=1S/C15H11NO3/c17-14-12-8-4-5-9-13(12)16-15(19-14)18-10-11-6-2-1-3-7-11/h1-9H,10H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Competitive inhibition of Bacillus subtilis rhomboid YqgP preincubated for 30 mins followed by FP-Rh addition measured after 1 hr by gel-based ABPP m...				Bioorg Med Chem Lett 28: 1423-1427 (2018) Article DOI: 10.1016/j.bmcl.2017.12.056 BindingDB Entry DOI: 10.7270/Q2WH2SM6
					More data for this Ligand-Target Pair