BindingDB logo
myBDB logout

null

SMILES: Cc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNC2(CCC2)C(O)=O)cc1Cl

InChI Key: InChIKey=JTKDWXCMCMUODO-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 1 hit for monomerid = 482368   
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 protein 1


(Homo sapiens)		BDBM482368
PNG
(US10919852, Compound TABLE 1.67)
Show SMILES Cc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNC2(CCC2)C(O)=O)cc1Cl |r|
Show InChI InChI=1S/C43H47ClN4O6/c1-28-33(6-3-9-38(28)52-19-5-16-48-17-12-32(49)13-18-48)34-7-2-8-36-35(34)10-11-39(36)54-41-22-40(53-27-30-20-29(23-45)24-46-25-30)31(21-37(41)44)26-47-43(42(50)51)14-4-15-43/h2-3,6-9,20-22,24-25,32,39,47,49H,4-5,10-19,26-27H2,1H3,(H,50,51)/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)

More data for this
Ligand-Target Pair