BDBM50210130 CHEMBL3885037

SMILES: Cc1nc(N)cc2OCC\C=C/CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12

InChI Key: InChIKey=RENCCYNTJOPRRX-IHWYPQMZSA-N

Data: 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 1 hit for monomerid = 50210130   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM50210130 (CHEMBL3885037) Show SMILES Cc1nc(N)cc2OCC\C=C/CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10| Show InChI InChI=1S/C28H31N7O3/c1-20-24-16-30-28(36)23-15-32-35(19-23)18-22-8-7-21(17-34-10-6-9-31-34)13-25(22)37-11-4-2-3-5-12-38-26(24)14-27(29)33-20/h2-3,6-10,13-15,19H,4-5,11-12,16-18H2,1H3,(H2,29,33)(H,30,36)/b3-2-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
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