Found 5 hits for monomerid = 50397666 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50397666
(CHEMBL2017277)Show SMILES COc1cc2c(NC3CCCCC3)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(22.74,4.14,;22.74,2.6,;24.07,1.83,;25.4,2.6,;26.73,1.83,;28.06,2.61,;28.05,4.15,;26.71,4.91,;26.71,6.45,;25.38,7.21,;24.05,6.44,;24.06,4.9,;25.39,4.13,;29.4,1.85,;29.41,.3,;28.07,-.48,;26.74,.29,;25.4,-.49,;24.07,.28,;22.73,-.48,;22.7,-2.03,;23.93,-2.96,;21.23,-2.47,;20.35,-1.21,;21.28,.02,;20.83,1.49,;30.73,2.63,;32.06,1.86,;30.72,4.17,)| Show InChI InChI=1S/C22H26N4O3/c1-12-20(13(2)29-26-12)16-9-18-15(10-19(16)28-3)21(17(11-24-18)22(23)27)25-14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H2,23,27)(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 assessed as inhibition of Alexa Fluor 488 binding after 60 mins by fluorescence anisotropic analysis |
Bioorg Med Chem Lett 22: 2968-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.041
BindingDB Entry DOI: 10.7270/Q2JS9RKN |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50397666
(CHEMBL2017277)Show SMILES COc1cc2c(NC3CCCCC3)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(22.74,4.14,;22.74,2.6,;24.07,1.83,;25.4,2.6,;26.73,1.83,;28.06,2.61,;28.05,4.15,;26.71,4.91,;26.71,6.45,;25.38,7.21,;24.05,6.44,;24.06,4.9,;25.39,4.13,;29.4,1.85,;29.41,.3,;28.07,-.48,;26.74,.29,;25.4,-.49,;24.07,.28,;22.73,-.48,;22.7,-2.03,;23.93,-2.96,;21.23,-2.47,;20.35,-1.21,;21.28,.02,;20.83,1.49,;30.73,2.63,;32.06,1.86,;30.72,4.17,)| Show InChI InChI=1S/C22H26N4O3/c1-12-20(13(2)29-26-12)16-9-18-15(10-19(16)28-3)21(17(11-24-18)22(23)27)25-14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H2,23,27)(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Binding affinity to BRD3 assessed as inhibition of Alexa Fluor 488 binding after 60 mins by fluorescence anisotropic analysis |
Bioorg Med Chem Lett 22: 2968-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.041
BindingDB Entry DOI: 10.7270/Q2JS9RKN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50397666
(CHEMBL2017277)Show SMILES COc1cc2c(NC3CCCCC3)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(22.74,4.14,;22.74,2.6,;24.07,1.83,;25.4,2.6,;26.73,1.83,;28.06,2.61,;28.05,4.15,;26.71,4.91,;26.71,6.45,;25.38,7.21,;24.05,6.44,;24.06,4.9,;25.39,4.13,;29.4,1.85,;29.41,.3,;28.07,-.48,;26.74,.29,;25.4,-.49,;24.07,.28,;22.73,-.48,;22.7,-2.03,;23.93,-2.96,;21.23,-2.47,;20.35,-1.21,;21.28,.02,;20.83,1.49,;30.73,2.63,;32.06,1.86,;30.72,4.17,)| Show InChI InChI=1S/C22H26N4O3/c1-12-20(13(2)29-26-12)16-9-18-15(10-19(16)28-3)21(17(11-24-18)22(23)27)25-14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H2,23,27)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 2968-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.041
BindingDB Entry DOI: 10.7270/Q2JS9RKN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50397666
(CHEMBL2017277)Show SMILES COc1cc2c(NC3CCCCC3)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(22.74,4.14,;22.74,2.6,;24.07,1.83,;25.4,2.6,;26.73,1.83,;28.06,2.61,;28.05,4.15,;26.71,4.91,;26.71,6.45,;25.38,7.21,;24.05,6.44,;24.06,4.9,;25.39,4.13,;29.4,1.85,;29.41,.3,;28.07,-.48,;26.74,.29,;25.4,-.49,;24.07,.28,;22.73,-.48,;22.7,-2.03,;23.93,-2.96,;21.23,-2.47,;20.35,-1.21,;21.28,.02,;20.83,1.49,;30.73,2.63,;32.06,1.86,;30.72,4.17,)| Show InChI InChI=1S/C22H26N4O3/c1-12-20(13(2)29-26-12)16-9-18-15(10-19(16)28-3)21(17(11-24-18)22(23)27)25-14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H2,23,27)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 using diethoxyfluoresin as substrate |
Bioorg Med Chem Lett 22: 2968-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.041
BindingDB Entry DOI: 10.7270/Q2JS9RKN |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50397666
(CHEMBL2017277)Show SMILES COc1cc2c(NC3CCCCC3)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(22.74,4.14,;22.74,2.6,;24.07,1.83,;25.4,2.6,;26.73,1.83,;28.06,2.61,;28.05,4.15,;26.71,4.91,;26.71,6.45,;25.38,7.21,;24.05,6.44,;24.06,4.9,;25.39,4.13,;29.4,1.85,;29.41,.3,;28.07,-.48,;26.74,.29,;25.4,-.49,;24.07,.28,;22.73,-.48,;22.7,-2.03,;23.93,-2.96,;21.23,-2.47,;20.35,-1.21,;21.28,.02,;20.83,1.49,;30.73,2.63,;32.06,1.86,;30.72,4.17,)| Show InChI InChI=1S/C22H26N4O3/c1-12-20(13(2)29-26-12)16-9-18-15(10-19(16)28-3)21(17(11-24-18)22(23)27)25-14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H2,23,27)(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD2 assessed as inhibition of Alexa Fluor 488 binding after 60 mins by fluorescence anisotropic analysis |
Bioorg Med Chem Lett 22: 2968-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.041
BindingDB Entry DOI: 10.7270/Q2JS9RKN |
More data for this
Ligand-Target Pair | |
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