BDBM208 CGP 53820 analog::methyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-N'-(cyclohexylmethyl)-2-{[(2-methoxyethoxy)carbonyl]amino}-3-methylbutanehydrazido]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate

SMILES: COCCOC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C)CC1CCCCC1

InChI Key: InChIKey=TUOHGYWWSZWQKZ-DZUOILHNSA-N

Data: 1 IC50

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 = 208   

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)	BDBM208 (CGP 53820 analog | methyl N-[(1S)-1-{[(2S,3S)-4-[(...) Show SMILES COCCOC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C)CC1CCCCC1 |r| Show InChI InChI=1S/C33H55N5O8/c1-22(2)28(35-32(42)45-6)30(40)34-26(19-24-13-9-7-10-14-24)27(39)21-38(20-25-15-11-8-12-16-25)37-31(41)29(23(3)4)36-33(43)46-18-17-44-5/h7,9-10,13-14,22-23,25-29,39H,8,11-12,15-21H2,1-6H3,(H,34,40)(H,35,42)(H,36,43)(H,37,41)/t26-,27-,28-,29-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	6.0	37
Ciba-Geigy Ltd.					Assay Description A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...				J Med Chem 39: 3203-16 (1996) Article DOI: 10.1021/jm960022p BindingDB Entry DOI: 10.7270/Q2FT8J7Q
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