Found 7 hits for monomerid = 50380669 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)) | BDBM50380669
(CHEMBL2017273)Show SMILES COc1cc2c(Nc3ccccc3F)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(8.28,-47.02,;8.28,-48.56,;9.62,-49.33,;10.95,-48.56,;12.28,-49.32,;13.61,-48.55,;13.6,-47.01,;12.26,-46.24,;10.95,-47.02,;9.61,-46.27,;9.6,-44.72,;10.93,-43.94,;12.26,-44.71,;13.6,-43.93,;14.95,-49.31,;14.95,-50.86,;13.62,-51.63,;12.28,-50.86,;10.95,-51.64,;9.62,-50.87,;8.28,-51.64,;8.25,-53.18,;9.47,-54.11,;6.77,-53.63,;5.89,-52.36,;6.83,-51.14,;6.38,-49.66,;16.27,-48.53,;17.61,-49.29,;16.26,-46.99,)| Show InChI InChI=1S/C22H19FN4O3/c1-11-20(12(2)30-27-11)14-8-18-13(9-19(14)29-3)21(15(10-25-18)22(24)28)26-17-7-5-4-6-16(17)23/h4-10H,1-3H3,(H2,24,28)(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 631 | 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)) | BDBM50380669
(CHEMBL2017273)Show SMILES COc1cc2c(Nc3ccccc3F)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(8.28,-47.02,;8.28,-48.56,;9.62,-49.33,;10.95,-48.56,;12.28,-49.32,;13.61,-48.55,;13.6,-47.01,;12.26,-46.24,;10.95,-47.02,;9.61,-46.27,;9.6,-44.72,;10.93,-43.94,;12.26,-44.71,;13.6,-43.93,;14.95,-49.31,;14.95,-50.86,;13.62,-51.63,;12.28,-50.86,;10.95,-51.64,;9.62,-50.87,;8.28,-51.64,;8.25,-53.18,;9.47,-54.11,;6.77,-53.63,;5.89,-52.36,;6.83,-51.14,;6.38,-49.66,;16.27,-48.53,;17.61,-49.29,;16.26,-46.99,)| Show InChI InChI=1S/C22H19FN4O3/c1-11-20(12(2)30-27-11)14-8-18-13(9-19(14)29-3)21(15(10-25-18)22(24)28)26-17-7-5-4-6-16(17)23/h4-10H,1-3H3,(H2,24,28)(H,25,26) | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 316 | 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)) | BDBM50380669
(CHEMBL2017273)Show SMILES COc1cc2c(Nc3ccccc3F)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(8.28,-47.02,;8.28,-48.56,;9.62,-49.33,;10.95,-48.56,;12.28,-49.32,;13.61,-48.55,;13.6,-47.01,;12.26,-46.24,;10.95,-47.02,;9.61,-46.27,;9.6,-44.72,;10.93,-43.94,;12.26,-44.71,;13.6,-43.93,;14.95,-49.31,;14.95,-50.86,;13.62,-51.63,;12.28,-50.86,;10.95,-51.64,;9.62,-50.87,;8.28,-51.64,;8.25,-53.18,;9.47,-54.11,;6.77,-53.63,;5.89,-52.36,;6.83,-51.14,;6.38,-49.66,;16.27,-48.53,;17.61,-49.29,;16.26,-46.99,)| Show InChI InChI=1S/C22H19FN4O3/c1-11-20(12(2)30-27-11)14-8-18-13(9-19(14)29-3)21(15(10-25-18)22(24)28)26-17-7-5-4-6-16(17)23/h4-10H,1-3H3,(H2,24,28)(H,25,26) | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD 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 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)) | BDBM50380669
(CHEMBL2017273)Show SMILES COc1cc2c(Nc3ccccc3F)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(8.28,-47.02,;8.28,-48.56,;9.62,-49.33,;10.95,-48.56,;12.28,-49.32,;13.61,-48.55,;13.6,-47.01,;12.26,-46.24,;10.95,-47.02,;9.61,-46.27,;9.6,-44.72,;10.93,-43.94,;12.26,-44.71,;13.6,-43.93,;14.95,-49.31,;14.95,-50.86,;13.62,-51.63,;12.28,-50.86,;10.95,-51.64,;9.62,-50.87,;8.28,-51.64,;8.25,-53.18,;9.47,-54.11,;6.77,-53.63,;5.89,-52.36,;6.83,-51.14,;6.38,-49.66,;16.27,-48.53,;17.61,-49.29,;16.26,-46.99,)| Show InChI InChI=1S/C22H19FN4O3/c1-11-20(12(2)30-27-11)14-8-18-13(9-19(14)29-3)21(15(10-25-18)22(24)28)26-17-7-5-4-6-16(17)23/h4-10H,1-3H3,(H2,24,28)(H,25,26) | 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 | 4.70E+3 | 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)) | BDBM50380669
(CHEMBL2017273)Show SMILES COc1cc2c(Nc3ccccc3F)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(8.28,-47.02,;8.28,-48.56,;9.62,-49.33,;10.95,-48.56,;12.28,-49.32,;13.61,-48.55,;13.6,-47.01,;12.26,-46.24,;10.95,-47.02,;9.61,-46.27,;9.6,-44.72,;10.93,-43.94,;12.26,-44.71,;13.6,-43.93,;14.95,-49.31,;14.95,-50.86,;13.62,-51.63,;12.28,-50.86,;10.95,-51.64,;9.62,-50.87,;8.28,-51.64,;8.25,-53.18,;9.47,-54.11,;6.77,-53.63,;5.89,-52.36,;6.83,-51.14,;6.38,-49.66,;16.27,-48.53,;17.61,-49.29,;16.26,-46.99,)| Show InChI InChI=1S/C22H19FN4O3/c1-11-20(12(2)30-27-11)14-8-18-13(9-19(14)29-3)21(15(10-25-18)22(24)28)26-17-7-5-4-6-16(17)23/h4-10H,1-3H3,(H2,24,28)(H,25,26) | 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 | 600 | 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)) | BDBM50380669
(CHEMBL2017273)Show SMILES COc1cc2c(Nc3ccccc3F)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(8.28,-47.02,;8.28,-48.56,;9.62,-49.33,;10.95,-48.56,;12.28,-49.32,;13.61,-48.55,;13.6,-47.01,;12.26,-46.24,;10.95,-47.02,;9.61,-46.27,;9.6,-44.72,;10.93,-43.94,;12.26,-44.71,;13.6,-43.93,;14.95,-49.31,;14.95,-50.86,;13.62,-51.63,;12.28,-50.86,;10.95,-51.64,;9.62,-50.87,;8.28,-51.64,;8.25,-53.18,;9.47,-54.11,;6.77,-53.63,;5.89,-52.36,;6.83,-51.14,;6.38,-49.66,;16.27,-48.53,;17.61,-49.29,;16.26,-46.99,)| Show InChI InChI=1S/C22H19FN4O3/c1-11-20(12(2)30-27-11)14-8-18-13(9-19(14)29-3)21(15(10-25-18)22(24)28)26-17-7-5-4-6-16(17)23/h4-10H,1-3H3,(H2,24,28)(H,25,26) | 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 | 600 | 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)) | BDBM50380669
(CHEMBL2017273)Show SMILES COc1cc2c(Nc3ccccc3F)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(8.28,-47.02,;8.28,-48.56,;9.62,-49.33,;10.95,-48.56,;12.28,-49.32,;13.61,-48.55,;13.6,-47.01,;12.26,-46.24,;10.95,-47.02,;9.61,-46.27,;9.6,-44.72,;10.93,-43.94,;12.26,-44.71,;13.6,-43.93,;14.95,-49.31,;14.95,-50.86,;13.62,-51.63,;12.28,-50.86,;10.95,-51.64,;9.62,-50.87,;8.28,-51.64,;8.25,-53.18,;9.47,-54.11,;6.77,-53.63,;5.89,-52.36,;6.83,-51.14,;6.38,-49.66,;16.27,-48.53,;17.61,-49.29,;16.26,-46.99,)| Show InChI InChI=1S/C22H19FN4O3/c1-11-20(12(2)30-27-11)14-8-18-13(9-19(14)29-3)21(15(10-25-18)22(24)28)26-17-7-5-4-6-16(17)23/h4-10H,1-3H3,(H2,24,28)(H,25,26) | 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 | 4.70E+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 | |