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BDBM841 Benzocycloalkyl Amines deriv. 11::tert-butyl N-[(2S,3S,5R)-5-benzyl-5-{[(1R,2R)-2-carbamoyl-2,3-dihydro-1H-inden-1-yl]carbamoyl}-3-hydroxy-1-phenylpentan-2-yl]carbamate

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@@H](Cc2ccccc12)C(N)=O

InChI Key: InChIKey=ROOKYLNNFCRHNK-WJBPYKOESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 841   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
HIV-1 Protease


(Human immunodeficiency virus type 1)		BDBM841
PNG
(Benzocycloalkyl Amines deriv. 11 | tert-butyl N-[(...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@@H](Cc2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41N3O5/c1-34(2,3)42-33(41)36-28(19-23-14-8-5-9-15-23)29(38)21-25(18-22-12-6-4-7-13-22)32(40)37-30-26-17-11-10-16-24(26)20-27(30)31(35)39/h4-17,25,27-30,38H,18-21H2,1-3H3,(H2,35,39)(H,36,41)(H,37,40)/t25-,27-,28+,29+,30+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.80n/an/an/an/a5.530



Merck Sharp and Dohme Research Laboratories



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...

J Med Chem 34: 1228-30 (1991)


Article DOI: 10.1021/jm00107a051
BindingDB Entry DOI: 10.7270/Q2XS5SKZ
More data for this
Ligand-Target Pair