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BDBM50092327 CHEMBL3581652::US9675697, RX-45

SMILES: CCc1noc(CC)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC

InChI Key: InChIKey=CKQYQLKQWQCCMP-UHFFFAOYSA-N

Data: 5 KI  2 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 7 hits for monomerid = 50092327   
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
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM50092327
PNG
(CHEMBL3581652 | US9675697, RX-45)
Show SMILES CCc1noc(CC)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC
Show InChI InChI=1S/C19H18ClN3O2/c1-4-12-17(15(5-2)25-23-12)11-8-14-10(9-16(11)24-3)18-13(22-14)6-7-21-19(18)20/h6-9,22H,4-5H2,1-3H3
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
3.44E+3 -7.45n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50092327
PNG
(CHEMBL3581652 | US9675697, RX-45)
Show SMILES CCc1noc(CC)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC
Show InChI InChI=1S/C19H18ClN3O2/c1-4-12-17(15(5-2)25-23-12)11-8-14-10(9-16(11)24-3)18-13(22-14)6-7-21-19(18)20/h6-9,22H,4-5H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.32E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM50092327
PNG
(CHEMBL3581652 | US9675697, RX-45)
Show SMILES CCc1noc(CC)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC
Show InChI InChI=1S/C19H18ClN3O2/c1-4-12-17(15(5-2)25-23-12)11-8-14-10(9-16(11)24-3)18-13(22-14)6-7-21-19(18)20/h6-9,22H,4-5H2,1-3H3
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
8.32E+3 -6.93n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1)


(Homo sapiens (Human))
BDBM50092327
PNG
(CHEMBL3581652 | US9675697, RX-45)
Show SMILES CCc1noc(CC)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC
Show InChI InChI=1S/C19H18ClN3O2/c1-4-12-17(15(5-2)25-23-12)11-8-14-10(9-16(11)24-3)18-13(22-14)6-7-21-19(18)20/h6-9,22H,4-5H2,1-3H3
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
>1.00E+4>-6.82n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50092327
PNG
(CHEMBL3581652 | US9675697, RX-45)
Show SMILES CCc1noc(CC)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC
Show InChI InChI=1S/C19H18ClN3O2/c1-4-12-17(15(5-2)25-23-12)11-8-14-10(9-16(11)24-3)18-13(22-14)6-7-21-19(18)20/h6-9,22H,4-5H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50092327
PNG
(CHEMBL3581652 | US9675697, RX-45)
Show SMILES CCc1noc(CC)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC
Show InChI InChI=1S/C19H18ClN3O2/c1-4-12-17(15(5-2)25-23-12)11-8-14-10(9-16(11)24-3)18-13(22-14)6-7-21-19(18)20/h6-9,22H,4-5H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.40E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50092327
PNG
(CHEMBL3581652 | US9675697, RX-45)
Show SMILES CCc1noc(CC)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC
Show InChI InChI=1S/C19H18ClN3O2/c1-4-12-17(15(5-2)25-23-12)11-8-14-10(9-16(11)24-3)18-13(22-14)6-7-21-19(18)20/h6-9,22H,4-5H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair