BDBM217 1-(4-Methoxyphenyl)-2-[[N-(benzyloxycarbonyl)-L-valinyl]amino]-4(S)-hydroxy-5(S)-[[N-(quinolin-2-ylcarbonyl)-L-asparaginyl]amino]-6-phenyl-2-azahexane::CGP 53820 analog::benzyl N-[(1S)-1-{N'-[(2S,3S)-2-hydroxy-4-phenyl-3-[(2S)-2-(quinolin-2-ylformamido)butanediamido]butyl]-N'-[(4-methoxyphenyl)methyl]hydrazinecarbonyl}-2-methylpropyl]carbamate

SMILES: COc1ccc(CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1

InChI Key: InChIKey=KJHOFIHBRJXADK-MJSJRNKMSA-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 = 217   

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)	BDBM217 (1-(4-Methoxyphenyl)-2-[[N-(benzyloxycarbonyl)-L-va...) Show SMILES COc1ccc(CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 |r| Show InChI InChI=1S/C45H51N7O8/c1-29(2)41(50-45(58)60-28-32-14-8-5-9-15-32)44(57)51-52(26-31-18-21-34(59-3)22-19-31)27-39(53)37(24-30-12-6-4-7-13-30)48-43(56)38(25-40(46)54)49-42(55)36-23-20-33-16-10-11-17-35(33)47-36/h4-23,29,37-39,41,53H,24-28H2,1-3H3,(H2,46,54)(H,48,56)(H,49,55)(H,50,58)(H,51,57)/t37-,38-,39-,41-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	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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