BDBM50405339 CHEMBL149156

SMILES: [#6]-[#6](-[#6])-c1ccc(-[#6])cc1-[#8]-[#6](=O)-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7]

InChI Key: InChIKey=NUDMLXKJIHBMCP-UHFFFAOYSA-N

Data: 2 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 = 50405339   

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
Acrosin (Homo sapiens (Human))	BDBM50405339 (CHEMBL149156) Show SMILES [#6]-[#6](-[#6])-c1ccc(-[#6])cc1-[#8]-[#6](=O)-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7] Show InChI InChI=1S/C18H21N3O2/c1-11(2)15-9-4-12(3)10-16(15)23-17(22)13-5-7-14(8-6-13)21-18(19)20/h4-11H,1-3H3,(H4,19,20,21)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human acrosin and control activity being 11.3 umol/min/mg				J Med Chem 29: 514-9 (1986) BindingDB Entry DOI: 10.7270/Q20C4WZ7
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50405339 (CHEMBL149156) Show SMILES [#6]-[#6](-[#6])-c1ccc(-[#6])cc1-[#8]-[#6](=O)-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7] Show InChI InChI=1S/C18H21N3O2/c1-11(2)15-9-4-12(3)10-16(15)23-17(22)13-5-7-14(8-6-13)21-18(19)20/h4-11H,1-3H3,(H4,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human trypsin and the control activity being 7.3 umol/min/mg				J Med Chem 29: 514-9 (1986) BindingDB Entry DOI: 10.7270/Q20C4WZ7
					More data for this Ligand-Target Pair