BDBM50518595 CHEMBL4472547

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

InChI Key: InChIKey=BVJKSLJMTUHQJM-XCZPVHLTSA-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 = 50518595   

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))	BDBM50518595 (CHEMBL4472547) Show SMILES CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C33H36N6O4S/c1-19(2)28(39-33(42)43-18-24-22-12-5-3-10-20(22)21-11-4-6-13-23(21)24)30(41)37-26(15-9-17-36-32(34)35)29(40)31-38-25-14-7-8-16-27(25)44-31/h3-8,10-14,16,19,24,26,28H,9,15,17-18H2,1-2H3,(H,37,41)(H,39,42)(H4,34,35,36)/t26-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	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))	BDBM50518595 (CHEMBL4472547) Show SMILES CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C33H36N6O4S/c1-19(2)28(39-33(42)43-18-24-22-12-5-3-10-20(22)21-11-4-6-13-23(21)24)30(41)37-26(15-9-17-36-32(34)35)29(40)31-38-25-14-7-8-16-27(25)44-31/h3-8,10-14,16,19,24,26,28H,9,15,17-18H2,1-2H3,(H,37,41)(H,39,42)(H4,34,35,36)/t26-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	125	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))	BDBM50518595 (CHEMBL4472547) Show SMILES CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C33H36N6O4S/c1-19(2)28(39-33(42)43-18-24-22-12-5-3-10-20(22)21-11-4-6-13-23(21)24)30(41)37-26(15-9-17-36-32(34)35)29(40)31-38-25-14-7-8-16-27(25)44-31/h3-8,10-14,16,19,24,26,28H,9,15,17-18H2,1-2H3,(H,37,41)(H,39,42)(H4,34,35,36)/t26-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.63E+3	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