BDBM9215 (2R,4S)-2-benzyl-5-[(3S,5R)-5-benzyl-3-{[3-(carbamoylmethoxy)phenyl]methyl}-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide::Pyrrolidone scaffold 23

SMILES: NC(=O)COc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1

InChI Key: InChIKey=ICNVDQQAQBMJRN-FPRBNXJLSA-N

Data: 1 KI

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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 = 9215   

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)	BDBM9215 ((2R,4S)-2-benzyl-5-[(3S,5R)-5-benzyl-3-{[3-(carbam...) Show SMILES NC(=O)COc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |r| Show InChI InChI=1S/C41H45N3O6/c42-38(47)26-50-35-16-9-14-29(21-35)19-32-22-33(20-28-12-5-2-6-13-28)44(41(32)49)25-34(45)23-31(18-27-10-3-1-4-11-27)40(48)43-39-36-17-8-7-15-30(36)24-37(39)46/h1-17,21,31-34,37,39,45-46H,18-20,22-26H2,(H2,42,47)(H,43,48)/t31-,32+,33+,34+,37-,39+/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0900	-13.7	n/a	n/a	n/a	n/a	n/a	6.4	25
GlaxoSmithKline					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 14: 5689-92 (2004) Article DOI: 10.1016/j.bmcl.2004.08.039 BindingDB Entry DOI: 10.7270/Q21Z42M0
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