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SMILES: C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(C)(O)CC3)c2C)cc1OCc1cncc(c1)C#N)C(O)=O

InChI Key: InChIKey=FYCRWRLJPXBAMV-KSTNVNJUSA-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 = 482385   
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))
BDBM482385
PNG
(US10919852, Compound TABLE 1.84 | US11708326, Comp...)
Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(C)(O)CC3)c2C)cc1OCc1cncc(c1)C#N)C(O)=O |r|
Show InChI InChI=1S/C43H49ClN4O7/c1-27-32(7-5-10-37(27)53-18-6-15-48-16-13-43(3,52)14-17-48)33-8-4-9-35-34(33)11-12-38(35)55-40-21-39(54-26-30-19-29(22-45)23-46-24-30)31(20-36(40)44)25-47-41(28(2)49)42(50)51/h4-5,7-10,19-21,23-24,28,38,41,47,49,52H,6,11-18,25-26H2,1-3H3,(H,50,51)/t28-,38+,41+/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)
BDBM482385
PNG
(US10919852, Compound TABLE 1.84 | US11708326, Comp...)
Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(C)(O)CC3)c2C)cc1OCc1cncc(c1)C#N)C(O)=O |r|
Show InChI InChI=1S/C43H49ClN4O7/c1-27-32(7-5-10-37(27)53-18-6-15-48-16-13-43(3,52)14-17-48)33-8-4-9-35-34(33)11-12-38(35)55-40-21-39(54-26-30-19-29(22-45)23-46-24-30)31(20-36(40)44)25-47-41(28(2)49)42(50)51/h4-5,7-10,19-21,23-24,28,38,41,47,49,52H,6,11-18,25-26H2,1-3H3,(H,50,51)/t28-,38+,41+/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