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BDBM50124716 (4R,5S,6S,7R)-1-(3-Amino-1H-indazol-5-ylmethyl)-3-butyl-5,6-dihydroxy-4,7-bis-(4-methyl-benzyl)-[1,3]diazepan-2-one::CHEMBL154962

SMILES: CCCCN1[C@H](Cc2ccc(C)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(C)cc2)N(Cc2ccc3[nH]nc(N)c3c2)C1=O

InChI Key: InChIKey=YKAFTOZYPINVBL-VKONIRKNSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50124716   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50124716
PNG
((4R,5S,6S,7R)-1-(3-Amino-1H-indazol-5-ylmethyl)-3-...)
Show SMILES CCCCN1[C@H](Cc2ccc(C)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(C)cc2)N(Cc2ccc3[nH]nc(N)c3c2)C1=O
Show InChI InChI=1S/C33H41N5O3/c1-4-5-16-37-28(18-23-10-6-21(2)7-11-23)30(39)31(40)29(19-24-12-8-22(3)9-13-24)38(33(37)41)20-25-14-15-27-26(17-25)32(34)36-35-27/h6-15,17,28-31,39-40H,4-5,16,18-20H2,1-3H3,(H3,34,35,36)/t28-,29-,30+,31+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0370n/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)


Article DOI: 10.1016/s0960-894x(02)01064-8
BindingDB Entry DOI: 10.7270/Q27D2THB
More data for this
Ligand-Target Pair