BDBM944 5PhBuCOOH deriv.::Statine deriv. 24::Tle-Val-Sta::benzyl N-[(1S)-1-{[(2S,3R,4R)-4-(benzylamino)-4-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamate

SMILES: CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=VKHXZIVZQNBARO-LMXAYPQSSA-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 = 944   

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)	BDBM944 (5PhBuCOOH deriv. | Statine deriv. 24 | Tle-Val-Sta...) Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C49H54N6O6/c1-33(2)43(47(58)52-30-36-21-11-5-12-22-36)55-48(59)44(51-29-35-19-9-4-10-20-35)45(56)41(27-34-17-7-3-8-18-34)53-46(57)42(28-38-31-50-40-26-16-15-25-39(38)40)54-49(60)61-32-37-23-13-6-14-24-37/h3-26,31,33,41-45,50-51,56H,27-30,32H2,1-2H3,(H,52,58)(H,53,57)(H,54,60)(H,55,59)/t41-,42-,43-,44+,45+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	200	-9.50	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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