Found 7 hits for monomerid = 50380679 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)) | BDBM50380679
(CHEMBL2017286)Show SMILES COc1cc2c3n(Cc4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(44.75,-24.87,;44.75,-26.41,;46.08,-27.18,;47.41,-26.4,;48.74,-27.17,;50.07,-26.4,;50.38,-24.89,;49.61,-23.56,;50.38,-22.23,;49.6,-20.9,;50.36,-19.57,;51.91,-19.57,;52.68,-20.9,;51.91,-22.23,;51.9,-24.72,;52.66,-23.38,;52.54,-26.11,;51.41,-27.15,;51.42,-28.71,;50.08,-29.48,;48.75,-28.71,;47.41,-29.49,;46.08,-28.72,;44.74,-29.49,;44.71,-31.03,;45.94,-31.96,;43.24,-31.48,;42.36,-30.21,;43.29,-28.99,;42.84,-27.51,)| Show InChI InChI=1S/C22H19N5O3/c1-12-20(13(2)30-26-12)16-8-17-15(9-19(16)29-3)21-18(10-24-17)25-22(28)27(21)11-14-6-4-5-7-23-14/h4-10H,11H2,1-3H3,(H,25,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to 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)) | BDBM50380679
(CHEMBL2017286)Show SMILES COc1cc2c3n(Cc4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(44.75,-24.87,;44.75,-26.41,;46.08,-27.18,;47.41,-26.4,;48.74,-27.17,;50.07,-26.4,;50.38,-24.89,;49.61,-23.56,;50.38,-22.23,;49.6,-20.9,;50.36,-19.57,;51.91,-19.57,;52.68,-20.9,;51.91,-22.23,;51.9,-24.72,;52.66,-23.38,;52.54,-26.11,;51.41,-27.15,;51.42,-28.71,;50.08,-29.48,;48.75,-28.71,;47.41,-29.49,;46.08,-28.72,;44.74,-29.49,;44.71,-31.03,;45.94,-31.96,;43.24,-31.48,;42.36,-30.21,;43.29,-28.99,;42.84,-27.51,)| Show InChI InChI=1S/C22H19N5O3/c1-12-20(13(2)30-26-12)16-8-17-15(9-19(16)29-3)21-18(10-24-17)25-22(28)27(21)11-14-6-4-5-7-23-14/h4-10H,11H2,1-3H3,(H,25,28) | 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 | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50380679
(CHEMBL2017286)Show SMILES COc1cc2c3n(Cc4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(44.75,-24.87,;44.75,-26.41,;46.08,-27.18,;47.41,-26.4,;48.74,-27.17,;50.07,-26.4,;50.38,-24.89,;49.61,-23.56,;50.38,-22.23,;49.6,-20.9,;50.36,-19.57,;51.91,-19.57,;52.68,-20.9,;51.91,-22.23,;51.9,-24.72,;52.66,-23.38,;52.54,-26.11,;51.41,-27.15,;51.42,-28.71,;50.08,-29.48,;48.75,-28.71,;47.41,-29.49,;46.08,-28.72,;44.74,-29.49,;44.71,-31.03,;45.94,-31.96,;43.24,-31.48,;42.36,-30.21,;43.29,-28.99,;42.84,-27.51,)| Show InChI InChI=1S/C22H19N5O3/c1-12-20(13(2)30-26-12)16-8-17-15(9-19(16)29-3)21-18(10-24-17)25-22(28)27(21)11-14-6-4-5-7-23-14/h4-10H,11H2,1-3H3,(H,25,28) | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.58E+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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50380679
(CHEMBL2017286)Show SMILES COc1cc2c3n(Cc4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(44.75,-24.87,;44.75,-26.41,;46.08,-27.18,;47.41,-26.4,;48.74,-27.17,;50.07,-26.4,;50.38,-24.89,;49.61,-23.56,;50.38,-22.23,;49.6,-20.9,;50.36,-19.57,;51.91,-19.57,;52.68,-20.9,;51.91,-22.23,;51.9,-24.72,;52.66,-23.38,;52.54,-26.11,;51.41,-27.15,;51.42,-28.71,;50.08,-29.48,;48.75,-28.71,;47.41,-29.49,;46.08,-28.72,;44.74,-29.49,;44.71,-31.03,;45.94,-31.96,;43.24,-31.48,;42.36,-30.21,;43.29,-28.99,;42.84,-27.51,)| Show InChI InChI=1S/C22H19N5O3/c1-12-20(13(2)30-26-12)16-8-17-15(9-19(16)29-3)21-18(10-24-17)25-22(28)27(21)11-14-6-4-5-7-23-14/h4-10H,11H2,1-3H3,(H,25,28) | 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 | 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 2963-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.125 BindingDB Entry DOI: 10.7270/Q2ZC83VK |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50380679
(CHEMBL2017286)Show SMILES COc1cc2c3n(Cc4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(44.75,-24.87,;44.75,-26.41,;46.08,-27.18,;47.41,-26.4,;48.74,-27.17,;50.07,-26.4,;50.38,-24.89,;49.61,-23.56,;50.38,-22.23,;49.6,-20.9,;50.36,-19.57,;51.91,-19.57,;52.68,-20.9,;51.91,-22.23,;51.9,-24.72,;52.66,-23.38,;52.54,-26.11,;51.41,-27.15,;51.42,-28.71,;50.08,-29.48,;48.75,-28.71,;47.41,-29.49,;46.08,-28.72,;44.74,-29.49,;44.71,-31.03,;45.94,-31.96,;43.24,-31.48,;42.36,-30.21,;43.29,-28.99,;42.84,-27.51,)| Show InChI InChI=1S/C22H19N5O3/c1-12-20(13(2)30-26-12)16-8-17-15(9-19(16)29-3)21-18(10-24-17)25-22(28)27(21)11-14-6-4-5-7-23-14/h4-10H,11H2,1-3H3,(H,25,28) | 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 | 9.80E+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 2C9
(Homo sapiens (Human)) | BDBM50380679
(CHEMBL2017286)Show SMILES COc1cc2c3n(Cc4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(44.75,-24.87,;44.75,-26.41,;46.08,-27.18,;47.41,-26.4,;48.74,-27.17,;50.07,-26.4,;50.38,-24.89,;49.61,-23.56,;50.38,-22.23,;49.6,-20.9,;50.36,-19.57,;51.91,-19.57,;52.68,-20.9,;51.91,-22.23,;51.9,-24.72,;52.66,-23.38,;52.54,-26.11,;51.41,-27.15,;51.42,-28.71,;50.08,-29.48,;48.75,-28.71,;47.41,-29.49,;46.08,-28.72,;44.74,-29.49,;44.71,-31.03,;45.94,-31.96,;43.24,-31.48,;42.36,-30.21,;43.29,-28.99,;42.84,-27.51,)| Show InChI InChI=1S/C22H19N5O3/c1-12-20(13(2)30-26-12)16-8-17-15(9-19(16)29-3)21-18(10-24-17)25-22(28)27(21)11-14-6-4-5-7-23-14/h4-10H,11H2,1-3H3,(H,25,28) | 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 | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 2963-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.125 BindingDB Entry DOI: 10.7270/Q2ZC83VK |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50380679
(CHEMBL2017286)Show SMILES COc1cc2c3n(Cc4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(44.75,-24.87,;44.75,-26.41,;46.08,-27.18,;47.41,-26.4,;48.74,-27.17,;50.07,-26.4,;50.38,-24.89,;49.61,-23.56,;50.38,-22.23,;49.6,-20.9,;50.36,-19.57,;51.91,-19.57,;52.68,-20.9,;51.91,-22.23,;51.9,-24.72,;52.66,-23.38,;52.54,-26.11,;51.41,-27.15,;51.42,-28.71,;50.08,-29.48,;48.75,-28.71,;47.41,-29.49,;46.08,-28.72,;44.74,-29.49,;44.71,-31.03,;45.94,-31.96,;43.24,-31.48,;42.36,-30.21,;43.29,-28.99,;42.84,-27.51,)| Show InChI InChI=1S/C22H19N5O3/c1-12-20(13(2)30-26-12)16-8-17-15(9-19(16)29-3)21-18(10-24-17)25-22(28)27(21)11-14-6-4-5-7-23-14/h4-10H,11H2,1-3H3,(H,25,28) | 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 | 1.29E+4 | 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 | |