BDBM50135272 CHEMBL3747618

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

InChI Key: InChIKey=UDQQQBAXCWRZGU-OLZOCXBDSA-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 = 50135272   

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))	BDBM50135272 (CHEMBL3747618) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C17H28N6O3S/c1-10(2)9-13(22-11(3)24)15(26)23-12(5-4-6-21-17(18)19)14(25)16-20-7-8-27-16/h7-8,10,12-13H,4-6,9H2,1-3H3,(H,22,24)(H,23,26)(H4,18,19,21)/t12-,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human recombinant hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to 120 ...				Bioorg Med Chem Lett 26: 310-4 (2016) BindingDB Entry DOI: 10.7270/Q2NP267S
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein homolog (Mus musculus)	BDBM50135272 (CHEMBL3747618) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)c1nccs1 |r| Show InChI InChI=1S/C17H28N6O3S/c1-10(2)9-13(22-11(3)24)15(26)23-12(5-4-6-21-17(18)19)14(25)16-20-7-8-27-16/h7-8,10,12-13H,4-6,9H2,1-3H3,(H,22,24)(H,23,26)(H4,18,19,21)/t12-,13+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	246	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to ...				Bioorg Med Chem Lett 26: 310-4 (2016) BindingDB Entry DOI: 10.7270/Q2NP267S
					More data for this Ligand-Target Pair