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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death 1 ligand 1' and Ligand = 'BDBM482431'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM482431
PNG
(US10919852, Compound TABLE 1.130 | US11708326, Com...)
Show SMILES CC(CO)(NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCCCC3)c2Cl)cc1OCc1cncc(c1)C#N)C(O)=O |r|
Show InChI InChI=1S/C41H44Cl2N4O6/c1-41(26-48,40(49)50)46-24-29-19-34(42)38(20-37(29)52-25-28-18-27(21-44)22-45-23-28)53-35-13-12-31-30(8-5-9-32(31)35)33-10-6-11-36(39(33)43)51-17-7-16-47-14-3-2-4-15-47/h5-6,8-11,18-20,22-23,35,46,48H,2-4,7,12-17,24-26H2,1H3,(H,49,50)/t35-,41?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N56DJ
More data for this
Ligand-Target Pair