BDBM50137735 (1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid (1-sec-butylaminooxalyl-3,3-difluoro-propyl)-amide::CHEMBL88082

SMILES: CCC(C)NC(=O)C(=O)C(CC(F)F)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

InChI Key: InChIKey=LUMJPDRAPAWHEN-HNCLKECISA-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 = 50137735   

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)	BDBM50137735 ((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...) Show SMILES CCC(C)NC(=O)C(=O)C(CC(F)F)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 Show InChI InChI=1S/C32H47F2N7O6/c1-7-18(6)37-31(46)27(42)21(13-23(33)34)38-30(45)26-20-10-8-9-19(20)15-41(26)32(47)25(17(4)5)40-29(44)24(16(2)3)39-28(43)22-14-35-11-12-36-22/h11-12,14,16-21,23-26H,7-10,13,15H2,1-6H3,(H,37,46)(H,38,45)(H,39,43)(H,40,44)/t18?,19-,20-,21?,24-,25-,26-/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	380	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 of the compound towards Protease using PNA assay in rats				Bioorg Med Chem Lett 14: 257-61 (2003) BindingDB Entry DOI: 10.7270/Q20P0ZDG
					More data for this Ligand-Target Pair
Human rhinovirus A protease (Human rhinovirus B)	BDBM50137735 ((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...) Show SMILES CCC(C)NC(=O)C(=O)C(CC(F)F)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 Show InChI InChI=1S/C32H47F2N7O6/c1-7-18(6)37-31(46)27(42)21(13-23(33)34)38-30(45)26-20-10-8-9-19(20)15-41(26)32(47)25(17(4)5)40-29(44)24(16(2)3)39-28(43)22-14-35-11-12-36-22/h11-12,14,16-21,23-26H,7-10,13,15H2,1-6H3,(H,37,46)(H,38,45)(H,39,43)(H,40,44)/t18?,19-,20-,21?,24-,25-,26-/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HCV protease using replicon assay in rats				Bioorg Med Chem Lett 14: 257-61 (2003) BindingDB Entry DOI: 10.7270/Q20P0ZDG
					More data for this Ligand-Target Pair