BDBM50459078 CHEMBL4216516

SMILES: NC(=N)NC(=O)c1nc(-c2ccoc2)c(nc1N)N1CCCCCC1

InChI Key: InChIKey=XTKNHHMMUHAGKV-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50459078   

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
Urokinase-type plasminogen activator/surface receptor (Homo sapiens (Human))	BDBM50459078 (CHEMBL4216516) Show SMILES NC(=N)NC(=O)c1nc(-c2ccoc2)c(nc1N)N1CCCCCC1 Show InChI InChI=1S/C16H21N7O2/c17-13-12(15(24)22-16(18)19)20-11(10-5-8-25-9-10)14(21-13)23-6-3-1-2-4-7-23/h5,8-9H,1-4,6-7H2,(H2,17,21)(H4,18,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of human kidney uPA using Z-Gly-Gly-Arg-AMC as substrate measured over 15 mins by fluorescence assay				J Med Chem 61: 8299-8320 (2018) Article DOI: 10.1021/acs.jmedchem.8b00838 BindingDB Entry DOI: 10.7270/Q2QF8WH4
					More data for this Ligand-Target Pair				3D Structure (crystal)