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SMILES: C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(O)C3)c2Cl)cc1OCc1cncc(c1)C#N)C(N)=O

InChI Key: InChIKey=KABSADSDVQMPFG-QYBRANBVSA-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 = 482445   
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))
BDBM482445
PNG
(US10919852, Compound TABLE 1.144 | US11708326, Com...)
Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(O)C3)c2Cl)cc1OCc1cncc(c1)C#N)C(N)=O |r|
Show InChI InChI=1S/C39H41Cl2N5O6/c1-23(47)38(39(43)49)45-19-26-14-32(40)36(15-35(26)51-22-25-13-24(16-42)17-44-18-25)52-33-10-9-29-28(5-2-6-30(29)33)31-7-3-8-34(37(31)41)50-12-4-11-46-20-27(48)21-46/h2-3,5-8,13-15,17-18,23,27,33,38,45,47-48H,4,9-12,19-22H2,1H3,(H2,43,49)/t23-,33+,38+/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)
BDBM482445
PNG
(US10919852, Compound TABLE 1.144 | US11708326, Com...)
Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(O)C3)c2Cl)cc1OCc1cncc(c1)C#N)C(N)=O |r|
Show InChI InChI=1S/C39H41Cl2N5O6/c1-23(47)38(39(43)49)45-19-26-14-32(40)36(15-35(26)51-22-25-13-24(16-42)17-44-18-25)52-33-10-9-29-28(5-2-6-30(29)33)31-7-3-8-34(37(31)41)50-12-4-11-46-20-27(48)21-46/h2-3,5-8,13-15,17-18,23,27,33,38,45,47-48H,4,9-12,19-22H2,1H3,(H2,43,49)/t23-,33+,38+/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