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SMILES CCCNc1cc(Nc2ccc(cc2)C#N)nc(n1)-c1ccccc1

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50557267   

LigandPNGBDBM50557267(CHEMBL4799327)copy SMILES
Affinity DataIC50: 293nMAssay Description:Inhibition of ABCG2 (unknown origin) expressed in MDCK-II cells assessed as reduction in pheophorbide A efflux measured after 2 hrs by flow cytometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC14CSPubMed
LigandPNGBDBM50557267(CHEMBL4799327)copy SMILES
Affinity DataEC50:  15nMAssay Description:Inhibition of ABCG2 (unknown origin) expressed in MDCK-II cells assessed as potentiation of SN-38-induced cytotoxicity measured after 72 hrs by MTT a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC14CSPubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))TBA
LigandPNGBDBM50557267(CHEMBL4799327)copy SMILES
Affinity DataIC50: 9.58E+3nMAssay Description:Inhibition of ABCC1 (unknown origin) expressed in human NCI-H69AR cells assessed as reduction in calcein AM efflux preincubated for 30 mins followed ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC14CSPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50557267(CHEMBL4799327)copy SMILES
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of ABCB1 (unknown origin) expressed in human A2780 ADR cells assessed as reduction in calcein AM efflux preincubated for 30 mins followed ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC14CSPubMed