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SMILES: COc1cc(ccc1CNCCO)C(=O)N1CCC2C1C=CC=C2c1ccccc1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50582863   
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))		BDBM50582863
PNG
(CHEMBL5080368)
Show SMILES COc1cc(ccc1CNCCO)C(=O)N1CCC2C1C=CC=C2c1ccccc1 |c:22,24|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 132n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PD-1/PDL-1 (unknown origin) binding

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01409
BindingDB Entry DOI: 10.7270/Q22R3WJW
More data for this
Ligand-Target Pair