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SMILES: CC(C)(C)c1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1

InChI Key: InChIKey=RIVJXVMWOIAAEH-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50513362   
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
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50513362
PNG
(CHEMBL4520178)
Show SMILES CC(C)(C)c1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C27H32N6O/c1-27(2,3)22-6-4-5-21(15-22)20-9-13-32(14-10-20)12-8-19-16-31-33(17-19)25-24-23(7-11-28-25)26(34)30-18-29-24/h4-7,11,15-18,20H,8-10,12-14H2,1-3H3,(H,29,30,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) assessed as decrease in demethylation of substrate using peptide (H3(1-21)K4-Me3-GGKBiotin) as substrate and 2OG...


Eur J Med Chem 177: 316-337 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.041
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50513362
PNG
(CHEMBL4520178)
Show SMILES CC(C)(C)c1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C27H32N6O/c1-27(2,3)22-6-4-5-21(15-22)20-9-13-32(14-10-20)12-8-19-16-31-33(17-19)25-24-23(7-11-28-25)26(34)30-18-29-24/h4-7,11,15-18,20H,8-10,12-14H2,1-3H3,(H,29,30,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) assessed as decrease in demethylation of substrate using peptide (H3(1-21)K4-Me3-GGKBiotin) as substrate and 2OG...


Eur J Med Chem 177: 316-337 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.041
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4B


(Homo sapiens (Human))
BDBM50513362
PNG
(CHEMBL4520178)
Show SMILES CC(C)(C)c1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C27H32N6O/c1-27(2,3)22-6-4-5-21(15-22)20-9-13-32(14-10-20)12-8-19-16-31-33(17-19)25-24-23(7-11-28-25)26(34)30-18-29-24/h4-7,11,15-18,20H,8-10,12-14H2,1-3H3,(H,29,30,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human KDM4B (1 to 500 residues) expressed in baculovirus infected Sf9 insect cells assessed as decrea...


Eur J Med Chem 177: 316-337 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.041
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50513362
PNG
(CHEMBL4520178)
Show SMILES CC(C)(C)c1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C27H32N6O/c1-27(2,3)22-6-4-5-21(15-22)20-9-13-32(14-10-20)12-8-19-16-31-33(17-19)25-24-23(7-11-28-25)26(34)30-18-29-24/h4-7,11,15-18,20H,8-10,12-14H2,1-3H3,(H,29,30,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 141n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged recombinant human KDM4A (1 to 359 residues) expressed in Escherichia coli assessed as decrease in demethylation o...


Eur J Med Chem 177: 316-337 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.041
More data for this
Ligand-Target Pair