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SMILES: CN(Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3oc(nc3c2)N2CCN(C)CC2)cc1OCc1cncc(c1)C#N)[C@@](C)(CO)C(O)=O

InChI Key: InChIKey=BDBDAPRTYUNDCG-KDXMTYKHSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 477039   
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/protein 1


(Homo sapiens-Homo sapiens (Human))		BDBM477039
PNG
(US10882844, Example 2017)
Show SMILES CN(Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3oc(nc3c2)N2CCN(C)CC2)cc1OCc1cncc(c1)C#N)[C@@](C)(CO)C(O)=O |r|
Show InChI InChI=1S/C39H41ClN6O6/c1-25-29(6-5-7-31(25)28-8-9-34-33(16-28)43-38(52-34)46-12-10-44(3)11-13-46)23-51-36-17-35(50-22-27-14-26(18-41)19-42-20-27)30(15-32(36)40)21-45(4)39(2,24-47)37(48)49/h5-9,14-17,19-20,47H,10-13,21-24H2,1-4H3,(H,48,49)/t39-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Bristol-Myers 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 US10882844 (2021)

More data for this
Ligand-Target Pair