BindingDB logo
myBDB logout

BDBM294607 US10112899, Example 87

SMILES: C[C@H]1CCCN1C(=O)N1Cc2c(C1)c(C)c(-c1ccc(C)cc1)c([C@H](OC(C)(C)C)C(O)=O)c2C

InChI Key: InChIKey=ODKKYUSHEASXTK-QYBDOPJKSA-N

Data: 1 IC50

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 = 294607   
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 integrase


(Human immunodeficiency virus 1)
BDBM294607
PNG
(US10112899, Example 87)
Show SMILES C[C@H]1CCCN1C(=O)N1Cc2c(C1)c(C)c(-c1ccc(C)cc1)c([C@H](OC(C)(C)C)C(O)=O)c2C
Show InChI InChI=1S/C29H38N2O4/c1-17-10-12-21(13-11-17)24-19(3)22-15-30(28(34)31-14-8-9-18(31)2)16-23(22)20(4)25(24)26(27(32)33)35-29(5,6)7/h10-13,18,26H,8-9,14-16H2,1-7H3,(H,32,33)/t18-,26-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



ViiV HEALTHCARE UK LIMITED

US Patent


Assay Description
Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l...


US Patent US10112899 (2018)


BindingDB Entry DOI: 10.7270/Q2KP8465
More data for this
Ligand-Target Pair