BindingDB logo
myBDB logout

null

SMILES: Cc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CN2CC(C2)C(O)=O)cc1Cl

InChI Key: InChIKey=AMMMZTWNZMLTJF-KDXMTYKHSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 482362   
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))
BDBM482362
PNG
(US10919852, Compound TABLE 1.61 | US11708326, Comp...)
Show SMILES Cc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CN2CC(C2)C(O)=O)cc1Cl |r|
Show InChI InChI=1S/C42H45ClN4O6/c1-27-33(5-3-8-38(27)51-16-4-13-46-14-11-32(48)12-15-46)34-6-2-7-36-35(34)9-10-39(36)53-41-19-40(52-26-29-17-28(20-44)21-45-22-29)30(18-37(41)43)23-47-24-31(25-47)42(49)50/h2-3,5-8,17-19,21-22,31-32,39,48H,4,9-16,23-26H2,1H3,(H,49,50)/t39-/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)
BDBM482362
PNG
(US10919852, Compound TABLE 1.61 | US11708326, Comp...)
Show SMILES Cc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CN2CC(C2)C(O)=O)cc1Cl |r|
Show InChI InChI=1S/C42H45ClN4O6/c1-27-33(5-3-8-38(27)51-16-4-13-46-14-11-32(48)12-15-46)34-6-2-7-36-35(34)9-10-39(36)53-41-19-40(52-26-29-17-28(20-44)21-45-22-29)30(18-37(41)43)23-47-24-31(25-47)42(49)50/h2-3,5-8,17-19,21-22,31-32,39,48H,4,9-16,23-26H2,1H3,(H,49,50)/t39-/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