BDBM50133645 ((S)-2-Methyl-1-{(1S,3aR,6aS)-1-[1-((S)-1-phenyl-ethylaminooxalyl)-butylcarbamoyl]-hexahydro-cyclopenta[c]pyrrole-2-carbonyl}-propyl)-carbamic acid isopropyl ester::CHEMBL423501

SMILES: CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1

InChI Key: InChIKey=QUWLLYOWZSKAPX-WXIYOMGPSA-N

Data: 2 KI  1 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 = 50133645   

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
Human rhinovirus A protease (Human rhinovirus B)	BDBM50133645 (((S)-2-Methyl-1-{(1S,3aR,6aS)-1-[1-((S)-1-phenyl-e...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C31H46N4O6/c1-7-12-24(27(36)29(38)32-20(6)21-13-9-8-10-14-21)33-28(37)26-23-16-11-15-22(23)17-35(26)30(39)25(18(2)3)34-31(40)41-19(4)5/h8-10,13-14,18-20,22-26H,7,11-12,15-17H2,1-6H3,(H,32,38)(H,33,37)(H,34,40)/t20-,22-,23-,24?,25-,26-/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Binding affinity towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 263-6 (2003) BindingDB Entry DOI: 10.7270/Q2VX0FX5
					More data for this Ligand-Target Pair
Human rhinovirus A protease (Human rhinovirus B)	BDBM50133645 (((S)-2-Methyl-1-{(1S,3aR,6aS)-1-[1-((S)-1-phenyl-e...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C31H46N4O6/c1-7-12-24(27(36)29(38)32-20(6)21-13-9-8-10-14-21)33-28(37)26-23-16-11-15-22(23)17-35(26)30(39)25(18(2)3)34-31(40)41-19(4)5/h8-10,13-14,18-20,22-26H,7,11-12,15-17H2,1-6H3,(H,32,38)(H,33,37)(H,34,40)/t20-,22-,23-,24?,25-,26-/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay				Bioorg Med Chem Lett 13: 3531-6 (2003) BindingDB Entry DOI: 10.7270/Q2PC33J5
					More data for this Ligand-Target Pair
Human rhinovirus A protease (Human rhinovirus B)	BDBM50133645 (((S)-2-Methyl-1-{(1S,3aR,6aS)-1-[1-((S)-1-phenyl-e...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C31H46N4O6/c1-7-12-24(27(36)29(38)32-20(6)21-13-9-8-10-14-21)33-28(37)26-23-16-11-15-22(23)17-35(26)30(39)25(18(2)3)34-31(40)41-19(4)5/h8-10,13-14,18-20,22-26H,7,11-12,15-17H2,1-6H3,(H,32,38)(H,33,37)(H,34,40)/t20-,22-,23-,24?,25-,26-/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Cytotoxic activity in rat liver Huh-7 cells				Bioorg Med Chem Lett 14: 263-6 (2003) BindingDB Entry DOI: 10.7270/Q2VX0FX5
					More data for this Ligand-Target Pair