BDBM50062946 ((1S,3S,4S)-1-Benzyl-3-hydroxy-4-{3-[3-(2-isopropyl-thiazol-4-ylmethyl)-3-methyl-ureido]-propionylamino}-5-phenyl-pentyl)-carbamic acid thiazol-5-ylmethyl ester::CHEMBL346120

SMILES: CC(C)c1nc(CN(C)C(=O)NCCC(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)cs1

InChI Key: InChIKey=VGGVCHNYGPQJAN-NAYUSWPISA-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 = 50062946   

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)	BDBM50062946 (((1S,3S,4S)-1-Benzyl-3-hydroxy-4-{3-[3-(2-isopropy...) Show SMILES CC(C)c1nc(CN(C)C(=O)NCCC(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)cs1 Show InChI InChI=1S/C35H44N6O5S2/c1-24(2)33-38-28(22-47-33)20-41(3)34(44)37-15-14-32(43)40-30(17-26-12-8-5-9-13-26)31(42)18-27(16-25-10-6-4-7-11-25)39-35(45)46-21-29-19-36-23-48-29/h4-13,19,22-24,27,30-31,42H,14-18,20-21H2,1-3H3,(H,37,44)(H,39,45)(H,40,43)/t27-,30-,31-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description Inhibitory concentration against purified recombinant HIV-1 protease using fluorogenic substrate				J Med Chem 41: 602-17 (1998) Article DOI: 10.1021/jm970636+ BindingDB Entry DOI: 10.7270/Q2N58KGK
					More data for this Ligand-Target Pair