BDBM50183626 CHEMBL382872::{(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-N'-[3-(pyridine-4-yl)-benzyl)]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester

SMILES: COC(=O)N[C@H](C(=O)NN(Cc1cccc(c1)-c1ccncc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C

InChI Key: InChIKey=NPPYZAWFDDQMIC-NGXTUNLOSA-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 = 50183626   

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)	BDBM50183626 (CHEMBL382872 | {(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,...) Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1cccc(c1)-c1ccncc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C Show InChI InChI=1S/C39H45N5O6/c1-38(2,3)34(42-37(48)50-4)35(46)43-44(24-27-13-10-15-29(21-27)28-17-19-40-20-18-28)25-39(49,23-26-11-6-5-7-12-26)36(47)41-33-31-16-9-8-14-30(31)22-32(33)45/h5-21,32-34,45,49H,22-25H2,1-4H3,(H,41,47)(H,42,48)(H,43,46)/t32-,33+,34-,39+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 1828-32 (2006) Article DOI: 10.1021/jm051239z BindingDB Entry DOI: 10.7270/Q2PC3357
					More data for this Ligand-Target Pair