BDBM50080934 2-[(R)-2-Benzhydryl-3,6-dioxo-4-(3-phenyl-propyl)-piperazin-1-yl]-N-[(S)-1-(1-carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-2-thiazol-2-yl-ethyl]-acetamide::CHEMBL80013

SMILES: NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](C(c3ccccc3)c3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1

InChI Key: InChIKey=JYUFNTNFKVETKI-GERCIDGTSA-N

Data: 2 IC50

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 = 50080934   

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
Prothrombin (Homo sapiens (Human))	BDBM50080934 (2-[(R)-2-Benzhydryl-3,6-dioxo-4-(3-phenyl-propyl)-...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](C(c3ccccc3)c3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C40H45N7O4S/c41-40(42)46-22-11-15-29(25-46)24-32(37(50)38-43-20-23-52-38)44-33(48)26-47-34(49)27-45(21-10-14-28-12-4-1-5-13-28)39(51)36(47)35(30-16-6-2-7-17-30)31-18-8-3-9-19-31/h1-9,12-13,16-20,23,29,32,35-36H,10-11,14-15,21-22,24-27H2,(H3,41,42)(H,44,48)/t29?,32-,36+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required against thrombin was determined				Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50080934 (2-[(R)-2-Benzhydryl-3,6-dioxo-4-(3-phenyl-propyl)-...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](C(c3ccccc3)c3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C40H45N7O4S/c41-40(42)46-22-11-15-29(25-46)24-32(37(50)38-43-20-23-52-38)44-33(48)26-47-34(49)27-45(21-10-14-28-12-4-1-5-13-28)39(51)36(47)35(30-16-6-2-7-17-30)31-18-8-3-9-19-31/h1-9,12-13,16-20,23,29,32,35-36H,10-11,14-15,21-22,24-27H2,(H3,41,42)(H,44,48)/t29?,32-,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required against trypsin was determined				Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW
					More data for this Ligand-Target Pair