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SMILES: COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CN1CCN(CC1)C(C)=O

InChI Key: InChIKey=HOWNMIDVPXVJME-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 365897   
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))		BDBM365897
PNG
(2-{4-[(4-acetylpiperazin-1- yl)methyl]-3,5- dimeth...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CN1CCN(CC1)C(C)=O
Show InChI InChI=1S/C29H31N3O4/c1-21(33)32-14-12-31(13-15-32)19-27-28(34-2)16-24(17-29(27)35-3)36-20-23-10-7-11-25(26(23)18-30)22-8-5-4-6-9-22/h4-11,16-17H,12-15,19-20H2,1-3H3
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