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SMILES: Cc1c(OCCCN2CC3(CC(O)C3)C2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CNC[C@H]2CCC(=O)N2)cc1Cl

InChI Key: InChIKey=FFQCIAOILUINGF-JEXREGNNSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 482551   
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
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM482551
PNG
(US10919852, Compound TABLE 1.250 | US11708326, Com...)
Show SMILES Cc1c(OCCCN2CC3(CC(O)C3)C2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CNC[C@H]2CCC(=O)N2)cc1Cl |r|
Show InChI InChI=1S/C46H48ClN5O5/c1-29-36(5-3-8-41(29)55-14-4-13-52-27-46(28-52)20-35(53)21-46)37-6-2-7-39-38(37)10-11-42(39)57-44-19-43(56-26-32-16-30(22-48)15-31(17-32)23-49)33(18-40(44)47)24-50-25-34-9-12-45(54)51-34/h2-3,5-8,15-19,34-35,42,50,53H,4,9-14,20-21,24-28H2,1H3,(H,51,54)/t34-,42+/m1/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 protein 1


(Homo sapiens)
BDBM482551
PNG
(US10919852, Compound TABLE 1.250 | US11708326, Com...)
Show SMILES Cc1c(OCCCN2CC3(CC(O)C3)C2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CNC[C@H]2CCC(=O)N2)cc1Cl |r|
Show InChI InChI=1S/C46H48ClN5O5/c1-29-36(5-3-8-41(29)55-14-4-13-52-27-46(28-52)20-35(53)21-46)37-6-2-7-39-38(37)10-11-42(39)57-44-19-43(56-26-32-16-30(22-48)15-31(17-32)23-49)33(18-40(44)47)24-50-25-34-9-12-45(54)51-34/h2-3,5-8,15-19,34-35,42,50,53H,4,9-14,20-21,24-28H2,1H3,(H,51,54)/t34-,42+/m1/s1
PDB

UniProtKB/SwissProt

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



ChemoCentryx, Inc.

US Patent


Assay Description
96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...


US Patent US10919852 (2021)


BindingDB Entry DOI: 10.7270/Q2RF5Z3R
More data for this
Ligand-Target Pair