BDBM50178816 ((1S)-1-{N'-Benzyl-N'-[(2S)-2-hydroxy-2-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-hydrazinocarbonyl}-2,2-dimethyl-propyl)-carbamic acid methyl ester::(1R,2R)-1-((3S,8S)-3,5-dibenzyl-8-tert-butyl-3-methyl-2,7,10-trimethylenedodecyl)-2-methyl-2,3-dihydro-1H-indene::CHEMBL436755::Methyl(S)-1-(benzyl((S)-2-benzyl-2-hydroxy-3-((1S,2R)-2-hydroxy-2,3-dihydro-1Hinden-1-ylamino)-3-oxopropyl)amino)-3,3-dimethyl-1-oxobutan-2-ylcarbamate

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

InChI Key: InChIKey=XSDFQERHLPEHEB-UNMGZEBXSA-N

Data: 2 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 2 hits for monomerid = 50178816   

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)	BDBM50178816 (((1S)-1-{N'-Benzyl-N'-[(2S)-2-hydroxy-2-((1S,2R)-2...) Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccccc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C Show InChI InChI=1S/C34H42N4O6/c1-33(2,3)29(36-32(42)44-4)30(40)37-38(21-24-15-9-6-10-16-24)22-34(43,20-23-13-7-5-8-14-23)31(41)35-28-26-18-12-11-17-25(26)19-27(28)39/h5-18,27-29,39,43H,19-22H2,1-4H3,(H,35,41)(H,36,42)(H,37,40)/t27-,28+,29-,34+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibitory activity against HIV1 protease expressed in Escherichia coli in a fluorometric assay				J Med Chem 48: 8098-102 (2005) Article DOI: 10.1021/jm050790t BindingDB Entry DOI: 10.7270/Q2QF8SGF
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50178816 (((1S)-1-{N'-Benzyl-N'-[(2S)-2-hydroxy-2-((1S,2R)-2...) Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccccc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C Show InChI InChI=1S/C34H42N4O6/c1-33(2,3)29(36-32(42)44-4)30(40)37-38(21-24-15-9-6-10-16-24)22-34(43,20-23-13-7-5-8-14-23)31(41)35-28-26-18-12-11-17-25(26)19-27(28)39/h5-18,27-29,39,43H,19-22H2,1-4H3,(H,35,41)(H,36,42)(H,37,40)/t27-,28+,29-,34+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	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 expressed in Escherichia coli by fluorometric assay				J Med Chem 53: 607-15 (2010) Article DOI: 10.1021/jm901165g BindingDB Entry DOI: 10.7270/Q29Z97R7
					More data for this Ligand-Target Pair