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BDBM50091330 CHEMBL3582256

InChI string: InChI=1/C29H30N2O5/c1-34-27-15-22(16-28(35-2)25(27)18-31-14-7-6-13-26(31)29(32)33)36-19-21-11-8-12-23(24(21)17-30)20-9-4-3-5-10-20/h3-5,8-12,15-16,26H,6-7,13-14,18-19H2,1-2H3,(H,32,33)/t26-/s2

SMILES: COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CN1CCCC[C@H]1C(O)=O

InChI Key: InChIKey=WIPLIOVSJOEWFD-CYLJNIGPNA-N

Data: 1 IC50

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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 = 50091330   
Target
(Institution)
LigandTarget
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)
BDBM50091330
PNG
(CHEMBL3582256)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CN1CCCC[C@H]1C(O)=O
Show InChI InChI=1/C29H30N2O5/c1-34-27-15-22(16-28(35-2)25(27)18-31-14-7-6-13-26(31)29(32)33)36-19-21-11-8-12-23(24(21)17-30)20-9-4-3-5-10-20/h3-5,8-12,15-16,26H,6-7,13-14,18-19H2,1-2H3,(H,32,33)/t26-/s2
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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged PD-L1 (unknown origin) assessed as inhibition of interaction with PD1 preincubated for 15 mins followed by PD1 additio...


ACS Med Chem Lett 6: 489-90 (2015)

More data for this
Ligand-Target Pair