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SMILES: OC1CCN(CCCOc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CNCC3CCC(=O)N3)cc2Cl)CC1

InChI Key: InChIKey=SMXMESIUBGLCMR-AZPJNPSPSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 482378   
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))
BDBM482378
PNG
(US10919852, Compound TABLE 1.77 | US11708326, Comp...)
Show SMILES OC1CCN(CCCOc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CNCC3CCC(=O)N3)cc2Cl)CC1 |r|
Show InChI InChI=1S/C42H45Cl2N5O5/c43-36-19-29(24-47-25-30-8-11-41(51)48-30)39(53-26-28-18-27(21-45)22-46-23-28)20-40(36)54-37-10-9-33-32(4-1-5-34(33)37)35-6-2-7-38(42(35)44)52-17-3-14-49-15-12-31(50)13-16-49/h1-2,4-7,18-20,22-23,30-31,37,47,50H,3,8-17,24-26H2,(H,48,51)/t30?,37-/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 protein 1


(Homo sapiens)
BDBM482378
PNG
(US10919852, Compound TABLE 1.77 | US11708326, Comp...)
Show SMILES OC1CCN(CCCOc2cccc(c2Cl)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cncc(c3)C#N)c(CNCC3CCC(=O)N3)cc2Cl)CC1 |r|
Show InChI InChI=1S/C42H45Cl2N5O5/c43-36-19-29(24-47-25-30-8-11-41(51)48-30)39(53-26-28-18-27(21-45)22-46-23-28)20-40(36)54-37-10-9-33-32(4-1-5-34(33)37)35-6-2-7-38(42(35)44)52-17-3-14-49-15-12-31(50)13-16-49/h1-2,4-7,18-20,22-23,30-31,37,47,50H,3,8-17,24-26H2,(H,48,51)/t30?,37-/m0/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