BDBM50032930 CHEMBL3356595

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1

InChI Key: InChIKey=LNFLFMVSXZPRHU-XSLAGTTESA-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 = 50032930   

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
Hepsin (Homo sapiens (Human))	BDBM50032930 (CHEMBL3356595) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C25H41N9O7S/c1-13(2)11-17(22(40)32-15(5-4-8-30-25(27)28)20(38)24-29-9-10-42-24)34-21(39)16(6-7-19(26)37)33-23(41)18(12-35)31-14(3)36/h9-10,13,15-18,35H,4-8,11-12H2,1-3H3,(H2,26,37)(H,31,36)(H,32,40)(H,33,41)(H,34,39)(H4,27,28,30)/t15-,16-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.340	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 hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Matriptase (Homo sapiens (Human))	BDBM50032930 (CHEMBL3356595) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C25H41N9O7S/c1-13(2)11-17(22(40)32-15(5-4-8-30-25(27)28)20(38)24-29-9-10-42-24)34-21(39)16(6-7-19(26)37)33-23(41)18(12-35)31-14(3)36/h9-10,13,15-18,35H,4-8,11-12H2,1-3H3,(H2,26,37)(H,31,36)(H,32,40)(H,33,41)(H,34,39)(H4,27,28,30)/t15-,16-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.20	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 matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair
Hepatocyte growth factor activator (Homo sapiens (Human))	BDBM50032930 (CHEMBL3356595) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C25H41N9O7S/c1-13(2)11-17(22(40)32-15(5-4-8-30-25(27)28)20(38)24-29-9-10-42-24)34-21(39)16(6-7-19(26)37)33-23(41)18(12-35)31-14(3)36/h9-10,13,15-18,35H,4-8,11-12H2,1-3H3,(H2,26,37)(H,31,36)(H,32,40)(H,33,41)(H,34,39)(H4,27,28,30)/t15-,16-,17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	182	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 HGFA (unknown origin) using Boc-QLR-AMC as substrate by chromogenic proteolytic assay				ACS Med Chem Lett 5: 1219-24 (2014) Article DOI: 10.1021/ml500254r BindingDB Entry DOI: 10.7270/Q2VM4DV8
					More data for this Ligand-Target Pair