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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 [19-238]/protein 1 [25-167]' and Ligand = 'BDBM461612'   
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 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))
BDBM461612
PNG
(US10774071, Example B-79)
Show SMILES COc1nc(O[C@H]2CCc3c2cccc3-c2cccc(c2Cl)-c2cnc([C@@H](C)NC[C@H]3CCC(=O)N3)c(OC)n2)c(Cl)cc1CN1CC[C@H](C1)C(O)=O |r|
Show InChI InChI=1S/C39H42Cl2N6O6/c1-21(42-17-24-10-13-33(48)44-24)35-38(52-3)45-31(18-43-35)29-9-5-8-28(34(29)41)25-6-4-7-27-26(25)11-12-32(27)53-37-30(40)16-23(36(46-37)51-2)20-47-15-14-22(19-47)39(49)50/h4-9,16,18,21-22,24,32,42H,10-15,17,19-20H2,1-3H3,(H,44,48)(H,49,50)/t21-,22-,24-,32+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0640n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...


US Patent US10774071 (2020)


BindingDB Entry DOI: 10.7270/Q2CV4MTC
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]


(Homo sapiens (Human))
BDBM461612
PNG
(US10774071, Example B-79)
Show SMILES COc1nc(O[C@H]2CCc3c2cccc3-c2cccc(c2Cl)-c2cnc([C@@H](C)NC[C@H]3CCC(=O)N3)c(OC)n2)c(Cl)cc1CN1CC[C@H](C1)C(O)=O |r|
Show InChI InChI=1S/C39H42Cl2N6O6/c1-21(42-17-24-10-13-33(48)44-24)35-38(52-3)45-31(18-43-35)29-9-5-8-28(34(29)41)25-6-4-7-27-26(25)11-12-32(27)53-37-30(40)16-23(36(46-37)51-2)20-47-15-14-22(19-47)39(49)50/h4-9,16,18,21-22,24,32,42H,10-15,17,19-20H2,1-3H3,(H,44,48)(H,49,50)/t21-,22-,24-,32+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 89n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in a functional co-culture reporter assay in which TCR-mediated NFAT activity is inhibited by the engagement of PD-1 with PD-L1...


US Patent US10774071 (2020)


BindingDB Entry DOI: 10.7270/Q2CV4MTC
More data for this
Ligand-Target Pair