BDBM50073248 CHEMBL119745::{2-[(1S,3S,4S)-1-Benzyl-3-hydroxy-4-(2-methyl-benzoylamino)-5-phenyl-pentylcarbamoyl]-phenyl}-carbamic acid pyridin-2-ylmethyl ester

SMILES: Cc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1

InChI Key: InChIKey=CKRRAJMIYUMXET-AQSWXANUSA-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 = 50073248   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50073248 (CHEMBL119745 | {2-[(1S,3S,4S)-1-Benzyl-3-hydroxy-4...) Show SMILES Cc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1 Show InChI InChI=1S/C40H40N4O5/c1-28-14-8-9-20-33(28)38(46)43-36(25-30-17-6-3-7-18-30)37(45)26-32(24-29-15-4-2-5-16-29)42-39(47)34-21-10-11-22-35(34)44-40(48)49-27-31-19-12-13-23-41-31/h2-23,32,36-37,45H,24-27H2,1H3,(H,42,47)(H,43,46)(H,44,48)/t32-,36-,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AIDS Drug Screening and Development Laboratory, SA Curated by ChEMBL					Assay Description Inhibitory activity against HIV protease				Bioorg Med Chem Lett 8: 3537-42 (1999) BindingDB Entry DOI: 10.7270/Q2HM57MB
					More data for this Ligand-Target Pair