BDBM50080925 CHEMBL256219::CHEMBL82977::N-[(S)-1-(1-Carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-2-thiazol-2-yl-ethyl]-2-[(R)-2-methyl-3,6-dioxo-4-(3-phenyl-propyl)-piperazin-1-yl]-acetamide

SMILES: [H][C@@]1(C[C@H](NC(=O)CN2[C@H](C)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)CCCN(C1)C(N)=N

InChI Key: InChIKey=IWOJWBTVEOHVDZ-QOMKKIOMSA-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 = 50080925   

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))	BDBM50080925 (CHEMBL256219 | N-[(S)-1-(1-Carbamimidoyl-piperidin...) Show SMILES [H][C@@]1(C[C@H](NC(=O)CN2[C@H](C)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)CCCN(C1)C(N)=N Show InChI InChI=1S/C28H37N7O4S/c1-19-27(39)33(12-5-9-20-7-3-2-4-8-20)18-24(37)35(19)17-23(36)32-22(25(38)26-31-11-14-40-26)15-21-10-6-13-34(16-21)28(29)30/h2-4,7-8,11,14,19,21-22H,5-6,9-10,12-13,15-18H2,1H3,(H3,29,30)(H,32,36)/t19-,21?,22+/m1/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	340	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))	BDBM50080925 (CHEMBL256219 | N-[(S)-1-(1-Carbamimidoyl-piperidin...) Show SMILES [H][C@@]1(C[C@H](NC(=O)CN2[C@H](C)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)CCCN(C1)C(N)=N Show InChI InChI=1S/C28H37N7O4S/c1-19-27(39)33(12-5-9-20-7-3-2-4-8-20)18-24(37)35(19)17-23(36)32-22(25(38)26-31-11-14-40-26)15-21-10-6-13-34(16-21)28(29)30/h2-4,7-8,11,14,19,21-22H,5-6,9-10,12-13,15-18H2,1H3,(H3,29,30)(H,32,36)/t19-,21?,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	880	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