BDBM50284925 CHEMBL288759::{(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,3S)-2-hydroxy-3-((S)-2-hydroxy-2,3,3-trimethyl-butyrylamino)-4-phenyl-butylamino]-propyl}-carbamic acid tert-butyl ester

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@](C)(O)C(C)(C)C

InChI Key: InChIKey=QRYXFTOKZCERLS-YPGOOEOSSA-N

Data: 1 KI  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 2 hits for monomerid = 50284925   

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)	BDBM50284925 (CHEMBL288759 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@](C)(O)C(C)(C)C Show InChI InChI=1S/C32H49N3O6/c1-30(2,3)32(7,40)28(38)34-24(18-22-14-10-8-11-15-22)26(36)20-33-21-27(37)25(19-23-16-12-9-13-17-23)35-29(39)41-31(4,5)6/h8-17,24-27,33,36-37,40H,18-21H2,1-7H3,(H,34,38)(H,35,39)/t24-,25-,26+,27+,32+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant against HIV protease was determined				Bioorg Med Chem Lett 5: 1729-1734 (1995) Article DOI: 10.1016/0960-894X(95)00293-3 BindingDB Entry DOI: 10.7270/Q2RN37TS
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50284925 (CHEMBL288759 | {(1S,2R)-1-Benzyl-2-hydroxy-3-[(2R,...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@](C)(O)C(C)(C)C Show InChI InChI=1S/C32H49N3O6/c1-30(2,3)32(7,40)28(38)34-24(18-22-14-10-8-11-15-22)26(36)20-33-21-27(37)25(19-23-16-12-9-13-17-23)35-29(39)41-31(4,5)6/h8-17,24-27,33,36-37,40H,18-21H2,1-7H3,(H,34,38)(H,35,39)/t24-,25-,26+,27+,32+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of HIV-1 protease.				Bioorg Med Chem Lett 5: 1729-1734 (1995) Article DOI: 10.1016/0960-894X(95)00293-3 BindingDB Entry DOI: 10.7270/Q2RN37TS
					More data for this Ligand-Target Pair