BDBM50130868 CHEMBL3632757

SMILES: NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(N2CCCCC2)c1O

InChI Key: InChIKey=UPKHVFIPJSYMAP-UHFFFAOYSA-N

Data: 2 KI

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 = 50130868   

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
Matriptase (Homo sapiens (Human))	BDBM50130868 (CHEMBL3632757) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(N2CCCCC2)c1O Show InChI InChI=1S/C20H22N4O/c21-20(22)13-7-8-16-14(11-13)12-17(23-16)15-5-4-6-18(19(15)25)24-9-2-1-3-10-24/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant matriptase by fluorescence based assay using 20 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate				Bioorg Med Chem Lett 25: 5309-14 (2015) BindingDB Entry DOI: 10.7270/Q24B335X
					More data for this Ligand-Target Pair
Hepsin (Homo sapiens (Human))	BDBM50130868 (CHEMBL3632757) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(N2CCCCC2)c1O Show InChI InChI=1S/C20H22N4O/c21-20(22)13-7-8-16-14(11-13)12-17(23-16)15-5-4-6-18(19(15)25)24-9-2-1-3-10-24/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate				Bioorg Med Chem Lett 25: 5309-14 (2015) BindingDB Entry DOI: 10.7270/Q24B335X
					More data for this Ligand-Target Pair