BDBM81244 4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-2-[(4-methylpiperazin-1-yl)methyl]phenol::4-[(6-chloro-2-methoxy-9-acridinyl)amino]-2-[(4-methyl-1-piperazinyl)methyl]phenol::4-[(6-chloro-2-methoxy-acridin-9-yl)amino]-2-[(4-methylpiperazino)methyl]phenol::4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-[(4-methylpiperazin-1-yl)methyl]phenol::MLS002701988::SMR001565565::cid_421105

SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1

InChI Key InChIKey=SUSDGTMJKOGWSZ-UHFFFAOYSA-N

Data  7 IC50  1 Kd  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 81244   

TargetDNA repair endonuclease XPF(Human)
University of Alberta

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 81244BDBM81244(cid_421105 | 4-[(6-chloro-2-methoxy-9-acridinyl)am...)
Affinity DataKd:  140nMAssay Description:Binding affinity to His-tagged human ERCC1-XPF expressed in Escherichia coli BL21 (DE3) cells by steady-state fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Alberta

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 81244BDBM81244(cid_421105 | 4-[(6-chloro-2-methoxy-9-acridinyl)am...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using midazolam as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
University of Alberta

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 81244BDBM81244(cid_421105 | 4-[(6-chloro-2-methoxy-9-acridinyl)am...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetDNA repair endonuclease XPF(Human)
University of Alberta

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 81244BDBM81244(cid_421105 | 4-[(6-chloro-2-methoxy-9-acridinyl)am...)
Affinity DataIC50: 1.86E+3nMAssay Description:Inhibition of human His6-tagged ERCC1-XPF endonuclease activity expressed in Escherichia coli BL21 (DE3) using [6-FAM-5'-CAGCGCTCGG(20T)CCGAGCGCTG-3'...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetDNA repair endonuclease XPF(Human)
University of Alberta

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 81244BDBM81244(cid_421105 | 4-[(6-chloro-2-methoxy-9-acridinyl)am...)
Affinity DataIC50: 1.86E+3nMAssay Description:Inhibition of human His-tagged human ERCC1-XPF expressed in Escherichia coli BL21 (DE3) cells using 6-FAM-5'CAGCGCTCGG(20T)CCGAGCGCTG-3'-dabcyl measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Alberta

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 81244BDBM81244(cid_421105 | 4-[(6-chloro-2-methoxy-9-acridinyl)am...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
University of Alberta

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 81244BDBM81244(cid_421105 | 4-[(6-chloro-2-methoxy-9-acridinyl)am...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
University of Alberta

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 81244BDBM81244(cid_421105 | 4-[(6-chloro-2-methoxy-9-acridinyl)am...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetKallikrein-7(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 81244BDBM81244(cid_421105 | 4-[(6-chloro-2-methoxy-9-acridinyl)am...)
Affinity DataEC50: >6.95E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2013
Entry Details
PCBioAssay