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BDBM50189695 CHEMBL1198405

SMILES: Cc1ccccc1Cn1c2ccccc2n(CC(O)c2ccc(Cl)c(Cl)c2)c1=N

InChI Key: InChIKey=BEKCHDAUQRKKOP-UHFFFAOYSA-N

Data: 2 Kd

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50189695   
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
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50189695
PNG
(CHEMBL1198405)
Show SMILES Cc1ccccc1Cn1c2ccccc2n(CC(O)c2ccc(Cl)c(Cl)c2)c1=N
Show InChI InChI=1S/C23H21Cl2N3O/c1-15-6-2-3-7-17(15)13-27-20-8-4-5-9-21(20)28(23(27)26)14-22(29)16-10-11-18(24)19(25)12-16/h2-12,22,26,29H,13-14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 5.00E+5n/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Binding affinity to 15N-labeled CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells by HSQC/NMR titrat...


ACS Med Chem Lett 7: 601-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00042
BindingDB Entry DOI: 10.7270/Q28054JT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50189695
PNG
(CHEMBL1198405)
Show SMILES Cc1ccccc1Cn1c2ccccc2n(CC(O)c2ccc(Cl)c(Cl)c2)c1=N
Show InChI InChI=1S/C23H21Cl2N3O/c1-15-6-2-3-7-17(15)13-27-20-8-4-5-9-21(20)28(23(27)26)14-22(29)16-10-11-18(24)19(25)12-16/h2-12,22,26,29H,13-14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 2.38E+4n/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells assessed as compound/protein/F...


ACS Med Chem Lett 7: 601-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00042
BindingDB Entry DOI: 10.7270/Q28054JT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)