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BDBM50155449 CHEMBL3780958

SMILES: COc1ccc(cc1)[C@@H](C)N1CCC[C@@H](CNCc2cc(ccn2)C(O)=O)C1=O

InChI Key: InChIKey=KGAMEANJVMHURT-YTPDYWORNA-N

Data: 5 IC50

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 5 hits for monomerid = 50155449   
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 6A (KDM6A)


(Homo sapiens (Human))
BDBM50155449
PNG
(CHEMBL3780958)
Show SMILES COc1ccc(cc1)[C@@H](C)N1CCC[C@@H](CNCc2cc(ccn2)C(O)=O)C1=O |r|
Show InChI InChI=1/C22H27N3O4/c1-15(16-5-7-20(29-2)8-6-16)25-11-3-4-18(21(25)26)13-23-14-19-12-17(22(27)28)9-10-24-19/h5-10,12,15,18,23H,3-4,11,13-14H2,1-2H3,(H,27,28)/t15-,18+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a>2.50E+3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human KDM6A preincubated for 10 mins followed by substrate addition by AlphaLISA assay


ACS Med Chem Lett 7: 128-30 (2016)

More data for this
Ligand-Target Pair
Histone lysine demethylase PHF8


(Homo sapiens (Human))
BDBM50155449
PNG
(CHEMBL3780958)
Show SMILES COc1ccc(cc1)[C@@H](C)N1CCC[C@@H](CNCc2cc(ccn2)C(O)=O)C1=O |r|
Show InChI InChI=1/C22H27N3O4/c1-15(16-5-7-20(29-2)8-6-16)25-11-3-4-18(21(25)26)13-23-14-19-12-17(22(27)28)9-10-24-19/h5-10,12,15,18,23H,3-4,11,13-14H2,1-2H3,(H,27,28)/t15-,18+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a<250n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 preincubated for 10 mins followed by substrate addition by AlphaLISA assay


ACS Med Chem Lett 7: 128-30 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50155449
PNG
(CHEMBL3780958)
Show SMILES COc1ccc(cc1)[C@@H](C)N1CCC[C@@H](CNCc2cc(ccn2)C(O)=O)C1=O |r|
Show InChI InChI=1/C22H27N3O4/c1-15(16-5-7-20(29-2)8-6-16)25-11-3-4-18(21(25)26)13-23-14-19-12-17(22(27)28)9-10-24-19/h5-10,12,15,18,23H,3-4,11,13-14H2,1-2H3,(H,27,28)/t15-,18+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a<250n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human KDM5B preincubated for 10 mins followed by substrate addition by AlphaLISA assay


ACS Med Chem Lett 7: 128-30 (2016)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50155449
PNG
(CHEMBL3780958)
Show SMILES COc1ccc(cc1)[C@@H](C)N1CCC[C@@H](CNCc2cc(ccn2)C(O)=O)C1=O |r|
Show InChI InChI=1/C22H27N3O4/c1-15(16-5-7-20(29-2)8-6-16)25-11-3-4-18(21(25)26)13-23-14-19-12-17(22(27)28)9-10-24-19/h5-10,12,15,18,23H,3-4,11,13-14H2,1-2H3,(H,27,28)/t15-,18+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a<250n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human KDM4C preincubated for 10 mins followed by substrate addition by AlphaLISA assay


ACS Med Chem Lett 7: 128-30 (2016)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2B (KDM2B)


(Homo sapiens (Human))
BDBM50155449
PNG
(CHEMBL3780958)
Show SMILES COc1ccc(cc1)[C@@H](C)N1CCC[C@@H](CNCc2cc(ccn2)C(O)=O)C1=O |r|
Show InChI InChI=1/C22H27N3O4/c1-15(16-5-7-20(29-2)8-6-16)25-11-3-4-18(21(25)26)13-23-14-19-12-17(22(27)28)9-10-24-19/h5-10,12,15,18,23H,3-4,11,13-14H2,1-2H3,(H,27,28)/t15-,18+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a<250n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human KDM2B preincubated for 10 mins followed by substrate addition by AlphaLISA assay


ACS Med Chem Lett 7: 128-30 (2016)

More data for this
Ligand-Target Pair