BDBM948 (4S)-4-{[(2S,3R,4R)-4-(benzylamino)-4-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-4-{[(benzyloxy)carbonyl]amino}butanoic acid::5PhBuCOOH deriv.::Statine deriv. 28::Tle-Val-Sta

SMILES: CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=COLMGOIANFAMFH-JWZDELSPSA-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 = 948   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM948 ((4S)-4-{[(2S,3R,4R)-4-(benzylamino)-4-{[(1S)-1-(be...) Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C43H51N5O8/c1-29(2)37(41(53)45-27-32-19-11-5-12-20-32)48-42(54)38(44-26-31-17-9-4-10-18-31)39(51)35(25-30-15-7-3-8-16-30)46-40(52)34(23-24-36(49)50)47-43(55)56-28-33-21-13-6-14-22-33/h3-22,29,34-35,37-39,44,51H,23-28H2,1-2H3,(H,45,53)(H,46,52)(H,47,55)(H,48,54)(H,49,50)/t34-,35-,37-,38+,39+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	45	-10.4	n/a	n/a	n/a	n/a	n/a	6.25	37
SANDOZ Forschungsinstitut Ges.m.b.H.					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV
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