BDBM50518598 CHEMBL4540950

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1

InChI Key: InChIKey=BLOFNYQHKSGSGE-MLCQCVOFSA-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 = 50518598   

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
Serine protease hepsin (Homo sapiens (Human))	BDBM50518598 (CHEMBL4540950) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C30H47N9O6S/c1-17(2)15-22(38-26(43)21(10-6-7-13-31)37-28(45)23(16-40)35-18(3)41)27(44)36-20(11-8-14-34-30(32)33)25(42)29-39-19-9-4-5-12-24(19)46-29/h4-5,9,12,17,20-23,40H,6-8,10-11,13-16,31H2,1-3H3,(H,35,41)(H,36,44)(H,37,45)(H,38,43)(H4,32,33,34)/t20-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.160	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
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50518598 (CHEMBL4540950) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C30H47N9O6S/c1-17(2)15-22(38-26(43)21(10-6-7-13-31)37-28(45)23(16-40)35-18(3)41)27(44)36-20(11-8-14-34-30(32)33)25(42)29-39-19-9-4-5-12-24(19)46-29/h4-5,9,12,17,20-23,40H,6-8,10-11,13-16,31H2,1-3H3,(H,35,41)(H,36,44)(H,37,45)(H,38,43)(H4,32,33,34)/t20-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10	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
Hepatocyte growth factor activator (Homo sapiens (Human))	BDBM50518598 (CHEMBL4540950) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C30H47N9O6S/c1-17(2)15-22(38-26(43)21(10-6-7-13-31)37-28(45)23(16-40)35-18(3)41)27(44)36-20(11-8-14-34-30(32)33)25(42)29-39-19-9-4-5-12-24(19)46-29/h4-5,9,12,17,20-23,40H,6-8,10-11,13-16,31H2,1-3H3,(H,35,41)(H,36,44)(H,37,45)(H,38,43)(H4,32,33,34)/t20-,21-,22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	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