BDBM216 2-Methyl-4-[[N-(benzyloxycarbonyl)-L-valinyl]amino]-6(S)-hydroxy-7(S)-[[N-(quinolin-2-ylcarbonyl)-L-asparaginyl]amino]-8-phenyl-4-azaoctane::CGP 53820 analog::benzyl N-[(1S)-1-{N'-[(2S,3S)-2-hydroxy-4-phenyl-3-[(2S)-2-(quinolin-2-ylformamido)butanediamido]butyl]-N'-(2-methylpropyl)hydrazinecarbonyl}-2-methylpropyl]carbamate

SMILES: CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

InChI Key: InChIKey=FKWYXAHMWIBZLY-SZHYKVQFSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 216   

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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM216 (2-Methyl-4-[[N-(benzyloxycarbonyl)-L-valinyl]amino...) Show SMILES CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C41H51N7O7/c1-26(2)23-48(47-40(53)37(27(3)4)46-41(54)55-25-29-15-9-6-10-16-29)24-35(49)33(21-28-13-7-5-8-14-28)44-39(52)34(22-36(42)50)45-38(51)32-20-19-30-17-11-12-18-31(30)43-32/h5-20,26-27,33-35,37,49H,21-25H2,1-4H3,(H2,42,50)(H,44,52)(H,45,51)(H,46,54)(H,47,53)/t33-,34-,35-,37-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	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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