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SMILES: Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(CCN3CC[C@@H](O)C3)nc2c1

InChI Key: InChIKey=HQVSKHZMSPNDNX-KUFVUHJUSA-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 = 436142   
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)		BDBM436142
PNG
(US10590105, Example 1029)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(CCN3CC[C@@H](O)C3)nc2c1 |r|
Show InChI InChI=1S/C41H42ClN5O6/c1-26-30(5-4-6-33(26)29-8-9-37-35(17-29)45-40(53-37)11-14-46-13-10-32(48)23-46)25-52-39-18-38(51-24-28-15-27(19-43)20-44-21-28)31(16-34(39)42)22-47-12-3-2-7-36(47)41(49)50/h4-6,8-9,15-18,20-21,32,36,48H,2-3,7,10-14,22-25H2,1H3,(H,49,50)/t32-,36+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Bristol-Meyers Squibb Company

US Patent


Assay Description
The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...

US Patent US10590105 (2020)


BindingDB Entry DOI: 10.7270/Q2ST7SVD
More data for this
Ligand-Target Pair