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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Programmed cell death 1 ligand 1' and Ligand = 'BDBM482556'   
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))
BDBM482556
PNG
(US10919852, Compound TABLE 1.255 | US10919852, Com...)
Show SMILES Cc1c(OCCCN2CCC(C)(F)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNC2CCC(=O)NC2)cc1Cl |r|
Show InChI InChI=1S/C44H49ClFN5O4/c1-29-34(6-4-9-39(29)53-19-5-16-51-17-14-44(2,46)15-18-51)35-7-3-8-37-36(35)11-12-40(37)55-42-22-41(54-28-31-20-30(23-47)24-48-25-31)32(21-38(42)45)26-49-33-10-13-43(52)50-27-33/h3-4,6-9,20-22,24-25,33,40,49H,5,10-19,26-28H2,1-2H3,(H,50,52)/t33?,40-/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
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM482556
PNG
(US10919852, Compound TABLE 1.255 | US10919852, Com...)
Show SMILES Cc1c(OCCCN2CCC(C)(F)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNC2CCC(=O)NC2)cc1Cl |r|
Show InChI InChI=1S/C44H49ClFN5O4/c1-29-34(6-4-9-39(29)53-19-5-16-51-17-14-44(2,46)15-18-51)35-7-3-8-37-36(35)11-12-40(37)55-42-22-41(54-28-31-20-30(23-47)24-48-25-31)32(21-38(42)45)26-49-33-10-13-43(52)50-27-33/h3-4,6-9,20-22,24-25,33,40,49H,5,10-19,26-28H2,1-2H3,(H,50,52)/t33?,40-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 253n/an/an/an/an/an/a


TBA



Citation and Details

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