BDBM50080914 2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propyl)-piperazin-1-yl]-N-[(S)-1-(1-carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-2-pyrrolidin-1-yl-ethyl]-acetamide::CHEMBL82753

SMILES: NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)N2CCCC2)C1

InChI Key: InChIKey=VTWLJGCFBJENLV-YHCMTOLSSA-N

Data: 1 KI  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 3 hits for monomerid = 50080914   

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))	BDBM50080914 (2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propyl)-pipe...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)N2CCCC2)C1 Show InChI InChI=1S/C35H47N7O4/c36-35(37)41-20-10-16-28(23-41)21-29(33(45)39-17-7-8-18-39)38-31(43)24-42-30(22-27-13-5-2-6-14-27)34(46)40(25-32(42)44)19-9-15-26-11-3-1-4-12-26/h1-6,11-14,28-30H,7-10,15-25H2,(H3,36,37)(H,38,43)/t28?,29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of thrombin				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))	BDBM50080914 (2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propyl)-pipe...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)N2CCCC2)C1 Show InChI InChI=1S/C35H47N7O4/c36-35(37)41-20-10-16-28(23-41)21-29(33(45)39-17-7-8-18-39)38-31(43)24-42-30(22-27-13-5-2-6-14-27)34(46)40(25-32(42)44)19-9-15-26-11-3-1-4-12-26/h1-6,11-14,28-30H,7-10,15-25H2,(H3,36,37)(H,38,43)/t28?,29-,30+/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	8.70E+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
Prothrombin (Homo sapiens (Human))	BDBM50080914 (2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propyl)-pipe...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)N2CCCC2)C1 Show InChI InChI=1S/C35H47N7O4/c36-35(37)41-20-10-16-28(23-41)21-29(33(45)39-17-7-8-18-39)38-31(43)24-42-30(22-27-13-5-2-6-14-27)34(46)40(25-32(42)44)19-9-15-26-11-3-1-4-12-26/h1-6,11-14,28-30H,7-10,15-25H2,(H3,36,37)(H,38,43)/t28?,29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	660	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