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SMILES: Cc1c(COc2ccc(CNC[C@@H](O)CC(O)=O)c(OCCCCC#N)c2)cccc1-c1ccccc1

InChI Key: InChIKey=PFTOXGQKQWUHGD-SANMLTNESA-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 = 363221   
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))		BDBM363221
PNG
((S)-4-((2-(4-cyanobutoxy)-4-((2-methyl-[1,1′...)
Show SMILES Cc1c(COc2ccc(CNC[C@@H](O)CC(O)=O)c(OCCCCC#N)c2)cccc1-c1ccccc1 |r|
Show InChI InChI=1S/C30H34N2O5/c1-22-25(11-8-12-28(22)23-9-4-2-5-10-23)21-37-27-14-13-24(19-32-20-26(33)17-30(34)35)29(18-27)36-16-7-3-6-15-31/h2,4-5,8-14,18,26,32-33H,3,6-7,16-17,19-21H2,1H3,(H,34,35)/t26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 5.30n/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 US9850225 (2017)


BindingDB Entry DOI: 10.7270/Q2N018TZ
More data for this
Ligand-Target Pair