BDBM50136001 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]-hexanoic acid::CHEMBL359083

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

InChI Key: InChIKey=SXOUAPVLCJSYMM-PTSIWXFMSA-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 = 50136001   

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)	BDBM50136001 (2-[(S)-(S)-2-((R)-2-{(S)-2-[(R)-2-((S)-2-Acetylami...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[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@H](C)CC)C(O)=O Show InChI InChI=1S/C38H64N6O12/c1-7-9-15-26(38(55)56)41-34(51)28(19-24-13-11-10-12-14-24)43-37(54)32(22(5)8-2)44-36(53)27(18-21(3)4)42-33(50)25(16-17-30(46)47)40-35(52)29(20-31(48)49)39-23(6)45/h21-22,24-29,32H,7-20H2,1-6H3,(H,39,45)(H,40,52)(H,41,51)(H,42,50)(H,43,54)(H,44,53)(H,46,47)(H,48,49)(H,55,56)/t22-,25-,26+,27+,28+,29+,32+/m1/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	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
					More data for this Ligand-Target Pair