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BDBM50124723 (4R,5S,6S,7R)-1-(3-Amino-1H-indazol-5-ylmethyl)-3-benzyl-4,7-bis-(4-ethyl-benzyl)-5,6-dihydroxy-[1,3]diazepan-2-one::CHEMBL346594

SMILES: CCc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(CC)cc3)N(Cc3ccc4[nH]nc(N)c4c3)C(=O)N2Cc2ccccc2)cc1

InChI Key: InChIKey=SOAFVHMCUQHVNN-NWJWHWDBSA-N

Data: 1 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50124723   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50124723
PNG
((4R,5S,6S,7R)-1-(3-Amino-1H-indazol-5-ylmethyl)-3-...)
Show SMILES CCc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(CC)cc3)N(Cc3ccc4[nH]nc(N)c4c3)C(=O)N2Cc2ccccc2)cc1
Show InChI InChI=1S/C38H43N5O3/c1-3-25-10-14-27(15-11-25)21-33-35(44)36(45)34(22-28-16-12-26(4-2)13-17-28)43(38(46)42(33)23-29-8-6-5-7-9-29)24-30-18-19-32-31(20-30)37(39)41-40-32/h5-20,33-36,44-45H,3-4,21-24H2,1-2H3,(H3,39,40,41)/t33-,34-,35+,36+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.0720n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound against HIV-Protease was determined

Bioorg Med Chem Lett 13: 605-8 (2003)


BindingDB Entry DOI: 10.7270/Q27D2THB
More data for this
Ligand-Target Pair