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SMILES: COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNC1(CO)CCCC1

InChI Key: InChIKey=FDNLSOYPUAARJN-UHFFFAOYSA-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 = 365985   
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))		BDBM365985
PNG
(US9872852, Example 237 | {1-[({2,6-dimethoxy-4-[(2...)
Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNC1(CO)CCCC1
Show InChI InChI=1S/C29H35NO4/c1-21-23(12-9-13-25(21)22-10-5-4-6-11-22)19-34-24-16-27(32-2)26(28(17-24)33-3)18-30-29(20-31)14-7-8-15-29/h4-6,9-13,16-17,30-31H,7-8,14-15,18-20H2,1-3H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 53n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...

J Med Chem 51: 4-16 (2008)


BindingDB Entry DOI: 10.7270/Q2RN3B42
More data for this
Ligand-Target Pair