BDBM50064202 1N-benzyl-2N-[1-benzyl-4-(2-benzylcarbamoylcyclopropylcarboxamido)-2,3-dihydroxy-5-phenyl-(1S,2R,3R,4S)-pentyl]-1,2-cyclopropanedicarboxamide::CHEMBL287929

SMILES: O[C@@H]([C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccccc1

InChI Key: InChIKey=OFKWXCJKTQUOHD-LAFNQVRVSA-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 = 50064202   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50064202 (1N-benzyl-2N-[1-benzyl-4-(2-benzylcarbamoylcyclopr...) Show SMILES O[C@@H]([C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccccc1 Show InChI InChI=1S/C42H46N4O6/c47-37(35(21-27-13-5-1-6-14-27)45-41(51)33-23-31(33)39(49)43-25-29-17-9-3-10-18-29)38(48)36(22-28-15-7-2-8-16-28)46-42(52)34-24-32(34)40(50)44-26-30-19-11-4-12-20-30/h1-20,31-38,47-48H,21-26H2,(H,43,49)(H,44,50)(H,45,51)(H,46,52)/t31-,32-,33-,34-,35+,36+,37-,38-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Frederick Biomedical Supercomputing Center Curated by ChEMBL					Assay Description Inhibitory activity of the compound was measured against wild-type HIV-1 protease				J Med Chem 41: 1581-97 (1998) Article DOI: 10.1021/jm980033d BindingDB Entry DOI: 10.7270/Q27S7MWG
					More data for this Ligand-Target Pair