BDBM50137718 (1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-1,2,3,3a,6,6a-hexahydro-cyclopenta[c]pyrrole-1-carboxylic acid (1-cyclopropylaminooxalyl-butyl)-amide::CHEMBL49900

SMILES: CCCC(NC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1

InChI Key: InChIKey=VLBZYSGENGZHRB-YOAIMQRKSA-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 = 50137718   

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)	BDBM50137718 ((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1 |c:10| Show InChI InChI=1S/C32H45N7O6/c1-6-8-22(27(40)31(44)35-20-11-12-20)36-30(43)26-21-10-7-9-19(21)16-39(26)32(45)25(18(4)5)38-29(42)24(17(2)3)37-28(41)23-15-33-13-14-34-23/h7,9,13-15,17-22,24-26H,6,8,10-12,16H2,1-5H3,(H,35,44)(H,36,43)(H,37,41)(H,38,42)/t19-,21-,22?,24-,25-,26-/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	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: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair
Human rhinovirus A protease (Human rhinovirus B)	BDBM50137718 ((1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyr...) Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1 |c:10| Show InChI InChI=1S/C32H45N7O6/c1-6-8-22(27(40)31(44)35-20-11-12-20)36-30(43)26-21-10-7-9-19(21)16-39(26)32(45)25(18(4)5)38-29(42)24(17(2)3)37-28(41)23-15-33-13-14-34-23/h7,9,13-15,17-22,24-26H,6,8,10-12,16H2,1-5H3,(H,35,44)(H,36,43)(H,37,41)(H,38,42)/t19-,21-,22?,24-,25-,26-/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 against Protease in rat liver Huh-7 cells				Bioorg Med Chem Lett 14: 251-6 (2003) BindingDB Entry DOI: 10.7270/Q24B30R9
					More data for this Ligand-Target Pair