BDBM50136002 2-[(S)-(S)-2-((R)-2-{(S)-2-[(R)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-4-(S)-carboxy-butyrylamino]-4-methyl-pentanoylamino}-3-methyl-pentanoylamino)-3-cyclohexyl-propionylamino]-butyric acid::CHEMBL151375

SMILES: CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(O)=O

InChI Key: InChIKey=KHMQPGPRBHBLFD-FKOQGWSVSA-N

Data: 1 KI

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 1 hit for monomerid = 50136002   

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)	BDBM50136002 (2-[(S)-(S)-2-((R)-2-{(S)-2-[(R)-2-((S)-2-Acetylami...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(O)=O Show InChI InChI=1S/C36H60N6O12/c1-7-20(5)30(35(52)41-26(17-22-12-10-9-11-13-22)32(49)38-23(8-2)36(53)54)42-34(51)25(16-19(3)4)40-31(48)24(14-15-28(44)45)39-33(50)27(18-29(46)47)37-21(6)43/h19-20,22-27,30H,7-18H2,1-6H3,(H,37,43)(H,38,49)(H,39,50)(H,40,48)(H,41,52)(H,42,51)(H,44,45)(H,46,47)(H,53,54)/t20-,23+,24-,25+,26+,27+,30+/m1/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding constant against hepatitis C virus (HCV) protease				J Med Chem 46: 5360-4 (2003) Article DOI: 10.1021/jm030040o BindingDB Entry DOI: 10.7270/Q20001J6
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