BDBM50518597 CHEMBL4469801

SMILES: NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1

InChI Key: InChIKey=GYXAJVPFFILTAV-NSOVKSMOSA-N

Data: 3 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 3 hits for monomerid = 50518597   

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
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50518597 (CHEMBL4469801) Show SMILES NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C34H39N7O4S/c35-18-8-7-15-28(41-34(44)45-20-25-23-12-3-1-10-21(23)22-11-2-4-13-24(22)25)31(43)39-27(16-9-19-38-33(36)37)30(42)32-40-26-14-5-6-17-29(26)46-32/h1-6,10-14,17,25,27-28H,7-9,15-16,18-20,35H2,(H,39,43)(H,41,44)(H4,36,37,38)/t27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by...				J Med Chem 62: 480-490 (2019) Article DOI: 10.1021/acs.jmedchem.8b01536
					More data for this Ligand-Target Pair
Hepsin (Homo sapiens (Human))	BDBM50518597 (CHEMBL4469801) Show SMILES NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C34H39N7O4S/c35-18-8-7-15-28(41-34(44)45-20-25-23-12-3-1-10-21(23)22-11-2-4-13-24(22)25)31(43)39-27(16-9-19-38-33(36)37)30(42)32-40-26-14-5-6-17-29(26)46-32/h1-6,10-14,17,25,27-28H,7-9,15-16,18-20,35H2,(H,39,43)(H,41,44)(H4,36,37,38)/t27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...				J Med Chem 62: 480-490 (2019) Article DOI: 10.1021/acs.jmedchem.8b01536
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator (Homo sapiens (Human))	BDBM50518597 (CHEMBL4469801) Show SMILES NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C34H39N7O4S/c35-18-8-7-15-28(41-34(44)45-20-25-23-12-3-1-10-21(23)22-11-2-4-13-24(22)25)31(43)39-27(16-9-19-38-33(36)37)30(42)32-40-26-14-5-6-17-29(26)46-32/h1-6,10-14,17,25,27-28H,7-9,15-16,18-20,35H2,(H,39,43)(H,41,44)(H4,36,37,38)/t27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of HGFA catalytic domain (unknown origin) preincubated for 30 mins followed by Boc-QLR-AMC substrate addition and measured for 1 hr by flu...				J Med Chem 62: 480-490 (2019) Article DOI: 10.1021/acs.jmedchem.8b01536
					More data for this Ligand-Target Pair