BDBM50408793 CHEMBL148986

SMILES: COC(=O)c1ccc(CN)cc1

InChI Key: InChIKey=AQBJGAUQEJFPKZ-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 50408793   

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
Trypsin-1 (Homo sapiens (Human))	BDBM50408793 (CHEMBL148986) Show SMILES COC(=O)c1ccc(CN)cc1 Show InChI InChI=1S/C9H11NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	2.30E+9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of trypsin				J Med Chem 42: 5169-80 (2000) BindingDB Entry DOI: 10.7270/Q2930VD5
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM50408793 (CHEMBL148986) Show SMILES COC(=O)c1ccc(CN)cc1 Show InChI InChI=1S/C9H11NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...				ACS Med Chem Lett 8: 423-427 (2017) BindingDB Entry DOI: 10.7270/Q2542QV6
					More data for this Ligand-Target Pair