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BDBM50092316 CHEMBL3581658::US9675697, Cpd. No. 24

SMILES: COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c21

InChI Key: InChIKey=SDJOVLUEILKTJF-UHFFFAOYSA-N

Data: 8 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 10 hits for monomerid = 50092316   
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 1 domain(BRD3 BD1)


(Homo sapiens (Human))
BDBM50092316
PNG
(CHEMBL3581658 | US9675697, Cpd. No. 24)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c21
Show InChI InChI=1S/C23H23N5O2/c1-11-20(13(3)28(5)26-11)23-22-15-10-19(29-6)16(21-12(2)27-30-14(21)4)9-18(15)25-17(22)7-8-24-23/h7-10,25H,1-6H3
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US Patent
38 -10.1n/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 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM50092316
PNG
(CHEMBL3581658 | US9675697, Cpd. No. 24)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c21
Show InChI InChI=1S/C23H23N5O2/c1-11-20(13(3)28(5)26-11)23-22-15-10-19(29-6)16(21-12(2)27-30-14(21)4)9-18(15)25-17(22)7-8-24-23/h7-10,25H,1-6H3
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UniChem

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US Patent
51 -9.94n/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 2 Bromo 1 domain(BRD2 BD1)


(Homo sapiens (Human))
BDBM50092316
PNG
(CHEMBL3581658 | US9675697, Cpd. No. 24)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c21
Show InChI InChI=1S/C23H23N5O2/c1-11-20(13(3)28(5)26-11)23-22-15-10-19(29-6)16(21-12(2)27-30-14(21)4)9-18(15)25-17(22)7-8-24-23/h7-10,25H,1-6H3
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US Patent
58 -9.87n/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 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM50092316
PNG
(CHEMBL3581658 | US9675697, Cpd. No. 24)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c21
Show InChI InChI=1S/C23H23N5O2/c1-11-20(13(3)28(5)26-11)23-22-15-10-19(29-6)16(21-12(2)27-30-14(21)4)9-18(15)25-17(22)7-8-24-23/h7-10,25H,1-6H3
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US Patent
92 -9.59n/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))
BDBM50092316
PNG
(CHEMBL3581658 | US9675697, Cpd. No. 24)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c21
Show InChI InChI=1S/C23H23N5O2/c1-11-20(13(3)28(5)26-11)23-22-15-10-19(29-6)16(21-12(2)27-30-14(21)4)9-18(15)25-17(22)7-8-24-23/h7-10,25H,1-6H3
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US Patent
116 -9.45n/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))
BDBM50092316
PNG
(CHEMBL3581658 | US9675697, Cpd. No. 24)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c21
Show InChI InChI=1S/C23H23N5O2/c1-11-20(13(3)28(5)26-11)23-22-15-10-19(29-6)16(21-12(2)27-30-14(21)4)9-18(15)25-17(22)7-8-24-23/h7-10,25H,1-6H3
PDB

KEGG

UniProtKB/SwissProt

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Article
PubMed
116n/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))
BDBM50092316
PNG
(CHEMBL3581658 | US9675697, Cpd. No. 24)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c21
Show InChI InChI=1S/C23H23N5O2/c1-11-20(13(3)28(5)26-11)23-22-15-10-19(29-6)16(21-12(2)27-30-14(21)4)9-18(15)25-17(22)7-8-24-23/h7-10,25H,1-6H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
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PC sid
UniChem

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Article
PubMed
134n/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))
BDBM50092316
PNG
(CHEMBL3581658 | US9675697, Cpd. No. 24)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c21
Show InChI InChI=1S/C23H23N5O2/c1-11-20(13(3)28(5)26-11)23-22-15-10-19(29-6)16(21-12(2)27-30-14(21)4)9-18(15)25-17(22)7-8-24-23/h7-10,25H,1-6H3
GoogleScholar
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US Patent
134 -9.37n/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))
BDBM50092316
PNG
(CHEMBL3581658 | US9675697, Cpd. No. 24)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c21
Show InChI InChI=1S/C23H23N5O2/c1-11-20(13(3)28(5)26-11)23-22-15-10-19(29-6)16(21-12(2)27-30-14(21)4)9-18(15)25-17(22)7-8-24-23/h7-10,25H,1-6H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 327n/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))
BDBM50092316
PNG
(CHEMBL3581658 | US9675697, Cpd. No. 24)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c21
Show InChI InChI=1S/C23H23N5O2/c1-11-20(13(3)28(5)26-11)23-22-15-10-19(29-6)16(21-12(2)27-30-14(21)4)9-18(15)25-17(22)7-8-24-23/h7-10,25H,1-6H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 481n/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