BDBM953 5PhBuCOOH deriv.::6-amino-N-[(1S)-1-{[(2S,3R,4R)-4-(benzylamino)-4-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]hexanamide::Statine deriv. 36::Tle-Val-Sta

SMILES: CC(C)[C@H](NC(=O)CCCCCN)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1

InChI Key: InChIKey=NNIGRBMKHHHZSZ-ALKAVZJCSA-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 = 953   

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)	BDBM953 (5PhBuCOOH deriv. | 6-amino-N-[(1S)-1-{[(2S,3R,4R)-...) Show SMILES CC(C)[C@H](NC(=O)CCCCCN)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C41H58N6O5/c1-28(2)35(39(50)44-27-32-21-13-7-14-22-32)47-41(52)37(43-26-31-19-11-6-12-20-31)38(49)33(25-30-17-9-5-10-18-30)45-40(51)36(29(3)4)46-34(48)23-15-8-16-24-42/h5-7,9-14,17-22,28-29,33,35-38,43,49H,8,15-16,23-27,42H2,1-4H3,(H,44,50)(H,45,51)(H,46,48)(H,47,52)/t33-,35-,36-,37+,38+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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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