BDBM50137747 (1S,3aR,6aS)-2-((S)-3,3-Dimethyl-2-{(S)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid (1-phenylaminooxalyl-butyl)-amide::CHEMBL78333

SMILES: CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)Nc1ccccc1

InChI Key: InChIKey=OVUWFJGETKMBNE-IGSHNTALSA-N

Data: 1 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 2 hits for monomerid = 50137747   

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)	BDBM50137747 ((1S,3aR,6aS)-2-((S)-3,3-Dimethyl-2-{(S)-3-methyl-2...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C36H49N7O6/c1-7-12-25(29(44)34(48)39-23-14-9-8-10-15-23)40-33(47)28-24-16-11-13-22(24)20-43(28)35(49)30(36(4,5)6)42-32(46)27(21(2)3)41-31(45)26-19-37-17-18-38-26/h8-10,14-15,17-19,21-22,24-25,27-28,30H,7,11-13,16,20H2,1-6H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25?,27-,28-,30+/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	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)	BDBM50137747 ((1S,3aR,6aS)-2-((S)-3,3-Dimethyl-2-{(S)-3-methyl-2...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C36H49N7O6/c1-7-12-25(29(44)34(48)39-23-14-9-8-10-15-23)40-33(47)28-24-16-11-13-22(24)20-43(28)35(49)30(36(4,5)6)42-32(46)27(21(2)3)41-31(45)26-19-37-17-18-38-26/h8-10,14-15,17-19,21-22,24-25,27-28,30H,7,11-13,16,20H2,1-6H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25?,27-,28-,30+/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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