BDBM50080931 CHEMBL84083::N-[(S)-1-(1-Carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-2-thiazol-2-yl-ethyl]-2-((R)-2,4-dibenzyl-3,6-dioxo-piperazin-1-yl)-acetamide

SMILES: NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(Cc3ccccc3)CC2=O)C(=O)c2nccs2)C1

InChI Key: InChIKey=CUHNSOWMTFMZFS-XBCLTQTASA-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 = 50080931   

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
Trypsin-1 (Homo sapiens (Human))	BDBM50080931 (CHEMBL84083 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(Cc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C32H37N7O4S/c33-32(34)37-14-7-12-24(19-37)16-25(29(42)30-35-13-15-44-30)36-27(40)20-39-26(17-22-8-3-1-4-9-22)31(43)38(21-28(39)41)18-23-10-5-2-6-11-23/h1-6,8-11,13,15,24-26H,7,12,14,16-21H2,(H3,33,34)(H,36,40)/t24?,25-,26+/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	2.10E+4	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
Prothrombin (Homo sapiens (Human))	BDBM50080931 (CHEMBL84083 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(Cc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C32H37N7O4S/c33-32(34)37-14-7-12-24(19-37)16-25(29(42)30-35-13-15-44-30)36-27(40)20-39-26(17-22-8-3-1-4-9-22)31(43)38(21-28(39)41)18-23-10-5-2-6-11-23/h1-6,8-11,13,15,24-26H,7,12,14,16-21H2,(H3,33,34)(H,36,40)/t24?,25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.23E+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 thrombin was determined				Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW
					More data for this Ligand-Target Pair