Found 67 hits Enz. Inhib. hit(s) with all data for entry = 50012698 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50559468
(CHEMBL4757477)Show SMILES CCOc1cc(ccc1Nc1cc2N(C)c3ccccc3C(=O)N(C)c2cn1)C(=O)N1CCC(CC1)N1CCCC1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ERK5 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50559478
(CHEMBL4800629)Show SMILES CCO[C@H]1CC[C@@H](CC1)Nc1cc2N(C)c3ccccc3C(=O)N(C)c2cn1 |r,wU:6.9,wD:3.2,(49.06,-13.98,;49.07,-12.44,;50.4,-11.68,;50.41,-10.14,;51.75,-9.38,;51.75,-7.83,;50.42,-7.07,;49.09,-7.83,;49.08,-9.36,;50.42,-5.53,;51.75,-4.76,;53.09,-5.53,;54.42,-4.76,;55.65,-5.72,;55.32,-7.22,;57.16,-5.35,;58.04,-6.62,;59.59,-6.48,;60.24,-5.07,;59.35,-3.81,;57.81,-3.95,;57.13,-2.56,;58.08,-1.35,;55.62,-2.23,;55.26,-.74,;54.41,-3.21,;53.08,-2.45,;51.76,-3.22,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50559469
(CHEMBL4788469)Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(N[C@H]3CC[C@H](O)CC3)cc12 |r,wU:17.17,wD:20.21,(8.15,-8.03,;8.47,-6.53,;9.98,-6.17,;10.87,-7.43,;12.41,-7.3,;13.06,-5.89,;12.17,-4.63,;10.64,-4.77,;9.96,-3.38,;10.91,-2.17,;8.45,-3.05,;8.09,-1.56,;7.24,-4.03,;5.91,-3.27,;4.59,-4.04,;4.59,-5.58,;3.26,-6.35,;3.25,-7.88,;4.59,-8.65,;4.58,-10.19,;3.25,-10.95,;3.24,-12.49,;1.92,-10.18,;1.93,-8.65,;5.92,-6.35,;7.25,-5.57,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ERK5 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50559469
(CHEMBL4788469)Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(N[C@H]3CC[C@H](O)CC3)cc12 |r,wU:17.17,wD:20.21,(8.15,-8.03,;8.47,-6.53,;9.98,-6.17,;10.87,-7.43,;12.41,-7.3,;13.06,-5.89,;12.17,-4.63,;10.64,-4.77,;9.96,-3.38,;10.91,-2.17,;8.45,-3.05,;8.09,-1.56,;7.24,-4.03,;5.91,-3.27,;4.59,-4.04,;4.59,-5.58,;3.26,-6.35,;3.25,-7.88,;4.59,-8.65,;4.58,-10.19,;3.25,-10.95,;3.24,-12.49,;1.92,-10.18,;1.93,-8.65,;5.92,-6.35,;7.25,-5.57,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50559467
(CHEMBL4763016)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2cccc(F)c2C1=O |r,wU:7.6,wD:10.10,(51.72,-32.35,;52.07,-33.85,;50.87,-34.83,;49.54,-34.06,;48.21,-34.83,;48.21,-36.37,;46.88,-37.14,;46.88,-38.67,;48.21,-39.44,;48.21,-40.98,;46.87,-41.74,;46.87,-43.28,;45.55,-40.97,;45.55,-39.44,;49.54,-37.14,;50.88,-36.37,;52.1,-37.32,;53.61,-36.96,;54.5,-38.23,;56.04,-38.09,;56.69,-36.68,;55.8,-35.42,;56.44,-34.03,;54.26,-35.56,;53.59,-34.17,;54.53,-32.96,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 131 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50559471
(CHEMBL4745137)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(F)ccc(F)c2C1=O |r,wU:7.6,wD:10.10,(68.13,-33.18,;68.49,-34.68,;67.28,-35.65,;65.95,-34.89,;64.63,-35.66,;64.62,-37.2,;63.29,-37.97,;63.29,-39.5,;64.63,-40.27,;64.62,-41.81,;63.28,-42.57,;63.28,-44.11,;61.96,-41.8,;61.96,-40.27,;65.96,-37.97,;67.29,-37.2,;68.51,-38.15,;70.02,-37.79,;70.91,-39.05,;70.26,-40.45,;72.45,-38.92,;73.1,-37.51,;72.21,-36.25,;72.85,-34.86,;70.68,-36.39,;70,-35,;70.95,-33.79,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 213 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50559476
(CHEMBL4796417)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2ccccc2C1=O |r,wU:7.6,wD:10.10,(41.22,-16.18,;41.58,-17.68,;40.37,-18.65,;39.04,-17.89,;37.72,-18.66,;37.71,-20.2,;36.38,-20.97,;36.38,-22.5,;37.72,-23.27,;37.71,-24.81,;36.37,-25.57,;36.37,-27.11,;35.05,-24.8,;35.05,-23.27,;39.04,-20.97,;40.38,-20.2,;41.6,-21.15,;43.11,-20.79,;44,-22.05,;45.54,-21.92,;46.19,-20.51,;45.3,-19.25,;43.77,-19.39,;43.09,-18,;44.03,-16.79,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 266 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50559468
(CHEMBL4757477)Show SMILES CCOc1cc(ccc1Nc1cc2N(C)c3ccccc3C(=O)N(C)c2cn1)C(=O)N1CCC(CC1)N1CCCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50559474
(CHEMBL4790464)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(F)cccc2C1=O |r,wU:7.6,wD:10.10,(8.39,-31.5,;8.74,-32.99,;7.54,-33.97,;6.21,-33.21,;4.88,-33.97,;4.88,-35.51,;3.55,-36.28,;3.55,-37.82,;4.88,-38.58,;4.87,-40.12,;3.54,-40.89,;3.53,-42.42,;2.22,-40.11,;2.22,-38.58,;6.21,-36.28,;7.55,-35.51,;8.77,-36.47,;10.28,-36.1,;11.17,-37.37,;10.52,-38.76,;12.71,-37.23,;13.36,-35.82,;12.47,-34.56,;10.93,-34.7,;10.26,-33.31,;11.2,-32.1,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 393 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365463
(CHEMBL1232461)Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4-BD1 (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50559473
(CHEMBL4788992)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(Cl)cccc2C1=O |r,wU:7.6,wD:10.10,(22.76,-32.3,;23.12,-33.79,;21.92,-34.77,;20.58,-34.01,;19.26,-34.78,;19.26,-36.32,;17.93,-37.08,;17.93,-38.62,;19.26,-39.39,;19.25,-40.93,;17.92,-41.69,;17.91,-43.23,;16.59,-40.91,;16.6,-39.39,;20.59,-37.09,;21.92,-36.31,;23.15,-37.27,;24.66,-36.91,;25.54,-38.17,;24.89,-39.56,;27.08,-38.04,;27.73,-36.63,;26.84,-35.37,;25.31,-35.51,;24.63,-34.12,;25.58,-32.91,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50559472
(CHEMBL4758899)Show SMILES COc1cccc2c1Oc1cc(N[C@H]3CC[C@H](O)CC3)ncc1N(C)C2=O |r,wU:13.13,wD:16.17,(37.79,-40.16,;39.32,-40.03,;39.96,-38.64,;41.5,-38.5,;42.16,-37.09,;41.27,-35.83,;39.73,-35.97,;39.08,-37.37,;37.57,-37.73,;36.35,-36.78,;35.01,-37.55,;33.68,-36.78,;32.35,-37.55,;32.35,-39.09,;33.68,-39.85,;33.67,-41.39,;32.34,-42.16,;32.33,-43.69,;31.01,-41.38,;31.02,-39.85,;33.68,-35.24,;35.01,-34.47,;36.34,-35.24,;37.54,-34.26,;37.18,-32.76,;39.05,-34.58,;40,-33.37,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559467
(CHEMBL4763016)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2cccc(F)c2C1=O |r,wU:7.6,wD:10.10,(51.72,-32.35,;52.07,-33.85,;50.87,-34.83,;49.54,-34.06,;48.21,-34.83,;48.21,-36.37,;46.88,-37.14,;46.88,-38.67,;48.21,-39.44,;48.21,-40.98,;46.87,-41.74,;46.87,-43.28,;45.55,-40.97,;45.55,-39.44,;49.54,-37.14,;50.88,-36.37,;52.1,-37.32,;53.61,-36.96,;54.5,-38.23,;56.04,-38.09,;56.69,-36.68,;55.8,-35.42,;56.44,-34.03,;54.26,-35.56,;53.59,-34.17,;54.53,-32.96,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4-BD1 (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559468
(CHEMBL4757477)Show SMILES CCOc1cc(ccc1Nc1cc2N(C)c3ccccc3C(=O)N(C)c2cn1)C(=O)N1CCC(CC1)N1CCCC1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4-BD1 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559471
(CHEMBL4745137)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(F)ccc(F)c2C1=O |r,wU:7.6,wD:10.10,(68.13,-33.18,;68.49,-34.68,;67.28,-35.65,;65.95,-34.89,;64.63,-35.66,;64.62,-37.2,;63.29,-37.97,;63.29,-39.5,;64.63,-40.27,;64.62,-41.81,;63.28,-42.57,;63.28,-44.11,;61.96,-41.8,;61.96,-40.27,;65.96,-37.97,;67.29,-37.2,;68.51,-38.15,;70.02,-37.79,;70.91,-39.05,;70.26,-40.45,;72.45,-38.92,;73.1,-37.51,;72.21,-36.25,;72.85,-34.86,;70.68,-36.39,;70,-35,;70.95,-33.79,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4-BD1 (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50559479
(CHEMBL4747052)Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(N[C@@H]3CC[C@H](O)CC3)cc12 |r,wU:17.17,20.21,(39.97,-8.02,;40.3,-6.52,;41.81,-6.15,;42.69,-7.42,;44.23,-7.28,;44.88,-5.87,;43.99,-4.61,;42.46,-4.75,;41.78,-3.36,;42.73,-2.15,;40.27,-3.04,;39.91,-1.55,;39.07,-4.02,;37.74,-3.26,;36.41,-4.02,;36.41,-5.56,;35.08,-6.33,;35.08,-7.87,;33.75,-8.63,;33.74,-10.16,;35.07,-10.94,;35.06,-12.47,;36.4,-10.17,;36.41,-8.63,;37.74,-6.33,;39.08,-5.56,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559472
(CHEMBL4758899)Show SMILES COc1cccc2c1Oc1cc(N[C@H]3CC[C@H](O)CC3)ncc1N(C)C2=O |r,wU:13.13,wD:16.17,(37.79,-40.16,;39.32,-40.03,;39.96,-38.64,;41.5,-38.5,;42.16,-37.09,;41.27,-35.83,;39.73,-35.97,;39.08,-37.37,;37.57,-37.73,;36.35,-36.78,;35.01,-37.55,;33.68,-36.78,;32.35,-37.55,;32.35,-39.09,;33.68,-39.85,;33.67,-41.39,;32.34,-42.16,;32.33,-43.69,;31.01,-41.38,;31.02,-39.85,;33.68,-35.24,;35.01,-34.47,;36.34,-35.24,;37.54,-34.26,;37.18,-32.76,;39.05,-34.58,;40,-33.37,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4-BD1 (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559469
(CHEMBL4788469)Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(N[C@H]3CC[C@H](O)CC3)cc12 |r,wU:17.17,wD:20.21,(8.15,-8.03,;8.47,-6.53,;9.98,-6.17,;10.87,-7.43,;12.41,-7.3,;13.06,-5.89,;12.17,-4.63,;10.64,-4.77,;9.96,-3.38,;10.91,-2.17,;8.45,-3.05,;8.09,-1.56,;7.24,-4.03,;5.91,-3.27,;4.59,-4.04,;4.59,-5.58,;3.26,-6.35,;3.25,-7.88,;4.59,-8.65,;4.58,-10.19,;3.25,-10.95,;3.24,-12.49,;1.92,-10.18,;1.93,-8.65,;5.92,-6.35,;7.25,-5.57,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4-BD1 (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559479
(CHEMBL4747052)Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(N[C@@H]3CC[C@H](O)CC3)cc12 |r,wU:17.17,20.21,(39.97,-8.02,;40.3,-6.52,;41.81,-6.15,;42.69,-7.42,;44.23,-7.28,;44.88,-5.87,;43.99,-4.61,;42.46,-4.75,;41.78,-3.36,;42.73,-2.15,;40.27,-3.04,;39.91,-1.55,;39.07,-4.02,;37.74,-3.26,;36.41,-4.02,;36.41,-5.56,;35.08,-6.33,;35.08,-7.87,;33.75,-8.63,;33.74,-10.16,;35.07,-10.94,;35.06,-12.47,;36.4,-10.17,;36.41,-8.63,;37.74,-6.33,;39.08,-5.56,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4-BD1 (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559476
(CHEMBL4796417)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2ccccc2C1=O |r,wU:7.6,wD:10.10,(41.22,-16.18,;41.58,-17.68,;40.37,-18.65,;39.04,-17.89,;37.72,-18.66,;37.71,-20.2,;36.38,-20.97,;36.38,-22.5,;37.72,-23.27,;37.71,-24.81,;36.37,-25.57,;36.37,-27.11,;35.05,-24.8,;35.05,-23.27,;39.04,-20.97,;40.38,-20.2,;41.6,-21.15,;43.11,-20.79,;44,-22.05,;45.54,-21.92,;46.19,-20.51,;45.3,-19.25,;43.77,-19.39,;43.09,-18,;44.03,-16.79,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4-BD1 (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559478
(CHEMBL4800629)Show SMILES CCO[C@H]1CC[C@@H](CC1)Nc1cc2N(C)c3ccccc3C(=O)N(C)c2cn1 |r,wU:6.9,wD:3.2,(49.06,-13.98,;49.07,-12.44,;50.4,-11.68,;50.41,-10.14,;51.75,-9.38,;51.75,-7.83,;50.42,-7.07,;49.09,-7.83,;49.08,-9.36,;50.42,-5.53,;51.75,-4.76,;53.09,-5.53,;54.42,-4.76,;55.65,-5.72,;55.32,-7.22,;57.16,-5.35,;58.04,-6.62,;59.59,-6.48,;60.24,-5.07,;59.35,-3.81,;57.81,-3.95,;57.13,-2.56,;58.08,-1.35,;55.62,-2.23,;55.26,-.74,;54.41,-3.21,;53.08,-2.45,;51.76,-3.22,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4-BD1 (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50559474
(CHEMBL4790464)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(F)cccc2C1=O |r,wU:7.6,wD:10.10,(8.39,-31.5,;8.74,-32.99,;7.54,-33.97,;6.21,-33.21,;4.88,-33.97,;4.88,-35.51,;3.55,-36.28,;3.55,-37.82,;4.88,-38.58,;4.87,-40.12,;3.54,-40.89,;3.53,-42.42,;2.22,-40.11,;2.22,-38.58,;6.21,-36.28,;7.55,-35.51,;8.77,-36.47,;10.28,-36.1,;11.17,-37.37,;10.52,-38.76,;12.71,-37.23,;13.36,-35.82,;12.47,-34.56,;10.93,-34.7,;10.26,-33.31,;11.2,-32.1,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG stably expressed in CHO cells at holding potential of -80 mV incubated for 12 mins |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50559476
(CHEMBL4796417)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2ccccc2C1=O |r,wU:7.6,wD:10.10,(41.22,-16.18,;41.58,-17.68,;40.37,-18.65,;39.04,-17.89,;37.72,-18.66,;37.71,-20.2,;36.38,-20.97,;36.38,-22.5,;37.72,-23.27,;37.71,-24.81,;36.37,-25.57,;36.37,-27.11,;35.05,-24.8,;35.05,-23.27,;39.04,-20.97,;40.38,-20.2,;41.6,-21.15,;43.11,-20.79,;44,-22.05,;45.54,-21.92,;46.19,-20.51,;45.3,-19.25,;43.77,-19.39,;43.09,-18,;44.03,-16.79,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG stably expressed in CHO cells at holding potential of -80 mV incubated for 12 mins |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50559473
(CHEMBL4788992)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(Cl)cccc2C1=O |r,wU:7.6,wD:10.10,(22.76,-32.3,;23.12,-33.79,;21.92,-34.77,;20.58,-34.01,;19.26,-34.78,;19.26,-36.32,;17.93,-37.08,;17.93,-38.62,;19.26,-39.39,;19.25,-40.93,;17.92,-41.69,;17.91,-43.23,;16.59,-40.91,;16.6,-39.39,;20.59,-37.09,;21.92,-36.31,;23.15,-37.27,;24.66,-36.91,;25.54,-38.17,;24.89,-39.56,;27.08,-38.04,;27.73,-36.63,;26.84,-35.37,;25.31,-35.51,;24.63,-34.12,;25.58,-32.91,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG stably expressed in CHO cells at holding potential of -80 mV incubated for 12 mins |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50559472
(CHEMBL4758899)Show SMILES COc1cccc2c1Oc1cc(N[C@H]3CC[C@H](O)CC3)ncc1N(C)C2=O |r,wU:13.13,wD:16.17,(37.79,-40.16,;39.32,-40.03,;39.96,-38.64,;41.5,-38.5,;42.16,-37.09,;41.27,-35.83,;39.73,-35.97,;39.08,-37.37,;37.57,-37.73,;36.35,-36.78,;35.01,-37.55,;33.68,-36.78,;32.35,-37.55,;32.35,-39.09,;33.68,-39.85,;33.67,-41.39,;32.34,-42.16,;32.33,-43.69,;31.01,-41.38,;31.02,-39.85,;33.68,-35.24,;35.01,-34.47,;36.34,-35.24,;37.54,-34.26,;37.18,-32.76,;39.05,-34.58,;40,-33.37,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG stably expressed in CHO cells at holding potential of -80 mV incubated for 12 mins |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50559467
(CHEMBL4763016)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2cccc(F)c2C1=O |r,wU:7.6,wD:10.10,(51.72,-32.35,;52.07,-33.85,;50.87,-34.83,;49.54,-34.06,;48.21,-34.83,;48.21,-36.37,;46.88,-37.14,;46.88,-38.67,;48.21,-39.44,;48.21,-40.98,;46.87,-41.74,;46.87,-43.28,;45.55,-40.97,;45.55,-39.44,;49.54,-37.14,;50.88,-36.37,;52.1,-37.32,;53.61,-36.96,;54.5,-38.23,;56.04,-38.09,;56.69,-36.68,;55.8,-35.42,;56.44,-34.03,;54.26,-35.56,;53.59,-34.17,;54.53,-32.96,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG stably expressed in CHO cells at holding potential of -80 mV incubated for 12 mins |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50559477
(CHEMBL4798210)Show SMILES CCO[C@@H]1CCCC[C@@H]1Nc1cc2N(C)c3ccccc3C(=O)N(C)c2cn1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50559469
(CHEMBL4788469)Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(N[C@H]3CC[C@H](O)CC3)cc12 |r,wU:17.17,wD:20.21,(8.15,-8.03,;8.47,-6.53,;9.98,-6.17,;10.87,-7.43,;12.41,-7.3,;13.06,-5.89,;12.17,-4.63,;10.64,-4.77,;9.96,-3.38,;10.91,-2.17,;8.45,-3.05,;8.09,-1.56,;7.24,-4.03,;5.91,-3.27,;4.59,-4.04,;4.59,-5.58,;3.26,-6.35,;3.25,-7.88,;4.59,-8.65,;4.58,-10.19,;3.25,-10.95,;3.24,-12.49,;1.92,-10.18,;1.93,-8.65,;5.92,-6.35,;7.25,-5.57,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50559471
(CHEMBL4745137)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(F)ccc(F)c2C1=O |r,wU:7.6,wD:10.10,(68.13,-33.18,;68.49,-34.68,;67.28,-35.65,;65.95,-34.89,;64.63,-35.66,;64.62,-37.2,;63.29,-37.97,;63.29,-39.5,;64.63,-40.27,;64.62,-41.81,;63.28,-42.57,;63.28,-44.11,;61.96,-41.8,;61.96,-40.27,;65.96,-37.97,;67.29,-37.2,;68.51,-38.15,;70.02,-37.79,;70.91,-39.05,;70.26,-40.45,;72.45,-38.92,;73.1,-37.51,;72.21,-36.25,;72.85,-34.86,;70.68,-36.39,;70,-35,;70.95,-33.79,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG stably expressed in CHO cells at holding potential of -80 mV incubated for 12 mins |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559474
(CHEMBL4790464)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(F)cccc2C1=O |r,wU:7.6,wD:10.10,(8.39,-31.5,;8.74,-32.99,;7.54,-33.97,;6.21,-33.21,;4.88,-33.97,;4.88,-35.51,;3.55,-36.28,;3.55,-37.82,;4.88,-38.58,;4.87,-40.12,;3.54,-40.89,;3.53,-42.42,;2.22,-40.11,;2.22,-38.58,;6.21,-36.28,;7.55,-35.51,;8.77,-36.47,;10.28,-36.1,;11.17,-37.37,;10.52,-38.76,;12.71,-37.23,;13.36,-35.82,;12.47,-34.56,;10.93,-34.7,;10.26,-33.31,;11.2,-32.1,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4-BD1 (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559473
(CHEMBL4788992)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(Cl)cccc2C1=O |r,wU:7.6,wD:10.10,(22.76,-32.3,;23.12,-33.79,;21.92,-34.77,;20.58,-34.01,;19.26,-34.78,;19.26,-36.32,;17.93,-37.08,;17.93,-38.62,;19.26,-39.39,;19.25,-40.93,;17.92,-41.69,;17.91,-43.23,;16.59,-40.91,;16.6,-39.39,;20.59,-37.09,;21.92,-36.31,;23.15,-37.27,;24.66,-36.91,;25.54,-38.17,;24.89,-39.56,;27.08,-38.04,;27.73,-36.63,;26.84,-35.37,;25.31,-35.51,;24.63,-34.12,;25.58,-32.91,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4-BD1 (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559477
(CHEMBL4798210)Show SMILES CCO[C@@H]1CCCC[C@@H]1Nc1cc2N(C)c3ccccc3C(=O)N(C)c2cn1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4-BD1 (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559470
(CHEMBL4795695)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2S(=O)(=O)c2ccccc2C1=O |r,wU:7.6,wD:10.10,(6.83,-47.41,;7.19,-48.9,;5.99,-49.88,;4.66,-49.12,;3.33,-49.89,;3.33,-51.43,;2,-52.19,;2,-53.73,;3.33,-54.49,;3.32,-56.03,;1.99,-56.8,;1.98,-58.33,;.66,-56.02,;.67,-54.49,;4.66,-52.2,;6,-51.42,;7.21,-52.38,;7.61,-53.86,;6.13,-53.46,;8.73,-52.02,;9.61,-53.28,;11.16,-53.14,;11.81,-51.73,;10.92,-50.48,;9.38,-50.62,;8.7,-49.23,;9.65,-48.02,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4-BD1 (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559475
(CHEMBL4747935)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Sc2ccccc2C1=O |r,wU:7.6,wD:10.10,(54.94,-16.23,;55.3,-17.72,;54.09,-18.7,;52.76,-17.94,;51.44,-18.71,;51.43,-20.25,;50.1,-21.02,;50.1,-22.55,;51.44,-23.32,;51.43,-24.86,;50.09,-25.62,;50.09,-27.16,;48.77,-24.84,;48.77,-23.32,;52.76,-21.02,;54.1,-20.24,;55.32,-21.2,;56.83,-20.84,;57.72,-22.1,;59.26,-21.97,;59.91,-20.56,;59.02,-19.3,;57.49,-19.44,;56.81,-18.05,;57.75,-16.84,)| | PDB
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4-BD1 (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50559467
(CHEMBL4763016)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2cccc(F)c2C1=O |r,wU:7.6,wD:10.10,(51.72,-32.35,;52.07,-33.85,;50.87,-34.83,;49.54,-34.06,;48.21,-34.83,;48.21,-36.37,;46.88,-37.14,;46.88,-38.67,;48.21,-39.44,;48.21,-40.98,;46.87,-41.74,;46.87,-43.28,;45.55,-40.97,;45.55,-39.44,;49.54,-37.14,;50.88,-36.37,;52.1,-37.32,;53.61,-36.96,;54.5,-38.23,;56.04,-38.09,;56.69,-36.68,;55.8,-35.42,;56.44,-34.03,;54.26,-35.56,;53.59,-34.17,;54.53,-32.96,)| | PDB
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| n/a | n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human partial length BRD2-BD1 (K71 to N194 residues) expressed in bacterial expression system by BROMOscan method |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50365463
(CHEMBL1232461)Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human partial length BRD2-BD1 (K71 to N194 residues) expressed in bacterial expression system by BROMOscan method |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50559467
(CHEMBL4763016)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2cccc(F)c2C1=O |r,wU:7.6,wD:10.10,(51.72,-32.35,;52.07,-33.85,;50.87,-34.83,;49.54,-34.06,;48.21,-34.83,;48.21,-36.37,;46.88,-37.14,;46.88,-38.67,;48.21,-39.44,;48.21,-40.98,;46.87,-41.74,;46.87,-43.28,;45.55,-40.97,;45.55,-39.44,;49.54,-37.14,;50.88,-36.37,;52.1,-37.32,;53.61,-36.96,;54.5,-38.23,;56.04,-38.09,;56.69,-36.68,;55.8,-35.42,;56.44,-34.03,;54.26,-35.56,;53.59,-34.17,;54.53,-32.96,)| | PDB
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human partial length BRD3-BD1 (P24 to E144 residues) expressed in bacterial expression system by BROMOscan method |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50365463
(CHEMBL1232461)Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1 | PDB
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Similars
| Article
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| n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human partial length BRD3-BD1 (P24 to E144 residues) expressed in bacterial expression system by BROMOscan method |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559469
(CHEMBL4788469)Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(N[C@H]3CC[C@H](O)CC3)cc12 |r,wU:17.17,wD:20.21,(8.15,-8.03,;8.47,-6.53,;9.98,-6.17,;10.87,-7.43,;12.41,-7.3,;13.06,-5.89,;12.17,-4.63,;10.64,-4.77,;9.96,-3.38,;10.91,-2.17,;8.45,-3.05,;8.09,-1.56,;7.24,-4.03,;5.91,-3.27,;4.59,-4.04,;4.59,-5.58,;3.26,-6.35,;3.25,-7.88,;4.59,-8.65,;4.58,-10.19,;3.25,-10.95,;3.24,-12.49,;1.92,-10.18,;1.93,-8.65,;5.92,-6.35,;7.25,-5.57,)| | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to BRD4-BD1 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559468
(CHEMBL4757477)Show SMILES CCOc1cc(ccc1Nc1cc2N(C)c3ccccc3C(=O)N(C)c2cn1)C(=O)N1CCC(CC1)N1CCCC1 | PDB
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| n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to BRD4-BD1 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559471
(CHEMBL4745137)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(F)ccc(F)c2C1=O |r,wU:7.6,wD:10.10,(68.13,-33.18,;68.49,-34.68,;67.28,-35.65,;65.95,-34.89,;64.63,-35.66,;64.62,-37.2,;63.29,-37.97,;63.29,-39.5,;64.63,-40.27,;64.62,-41.81,;63.28,-42.57,;63.28,-44.11,;61.96,-41.8,;61.96,-40.27,;65.96,-37.97,;67.29,-37.2,;68.51,-38.15,;70.02,-37.79,;70.91,-39.05,;70.26,-40.45,;72.45,-38.92,;73.1,-37.51,;72.21,-36.25,;72.85,-34.86,;70.68,-36.39,;70,-35,;70.95,-33.79,)| | PDB
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| PC cid
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| n/a | n/a | n/a | n/a | 430 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced TNFalpha secretion preincubated for 1 hr followed by LPS-stimulation and measur... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559467
(CHEMBL4763016)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2cccc(F)c2C1=O |r,wU:7.6,wD:10.10,(51.72,-32.35,;52.07,-33.85,;50.87,-34.83,;49.54,-34.06,;48.21,-34.83,;48.21,-36.37,;46.88,-37.14,;46.88,-38.67,;48.21,-39.44,;48.21,-40.98,;46.87,-41.74,;46.87,-43.28,;45.55,-40.97,;45.55,-39.44,;49.54,-37.14,;50.88,-36.37,;52.1,-37.32,;53.61,-36.96,;54.5,-38.23,;56.04,-38.09,;56.69,-36.68,;55.8,-35.42,;56.44,-34.03,;54.26,-35.56,;53.59,-34.17,;54.53,-32.96,)| | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 440 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced TNFalpha secretion preincubated for 1 hr followed by LPS-stimulation and measur... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559472
(CHEMBL4758899)Show SMILES COc1cccc2c1Oc1cc(N[C@H]3CC[C@H](O)CC3)ncc1N(C)C2=O |r,wU:13.13,wD:16.17,(37.79,-40.16,;39.32,-40.03,;39.96,-38.64,;41.5,-38.5,;42.16,-37.09,;41.27,-35.83,;39.73,-35.97,;39.08,-37.37,;37.57,-37.73,;36.35,-36.78,;35.01,-37.55,;33.68,-36.78,;32.35,-37.55,;32.35,-39.09,;33.68,-39.85,;33.67,-41.39,;32.34,-42.16,;32.33,-43.69,;31.01,-41.38,;31.02,-39.85,;33.68,-35.24,;35.01,-34.47,;36.34,-35.24,;37.54,-34.26,;37.18,-32.76,;39.05,-34.58,;40,-33.37,)| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.38E+3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced TNFalpha secretion preincubated for 1 hr followed by LPS-stimulation and measur... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559473
(CHEMBL4788992)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(Cl)cccc2C1=O |r,wU:7.6,wD:10.10,(22.76,-32.3,;23.12,-33.79,;21.92,-34.77,;20.58,-34.01,;19.26,-34.78,;19.26,-36.32,;17.93,-37.08,;17.93,-38.62,;19.26,-39.39,;19.25,-40.93,;17.92,-41.69,;17.91,-43.23,;16.59,-40.91,;16.6,-39.39,;20.59,-37.09,;21.92,-36.31,;23.15,-37.27,;24.66,-36.91,;25.54,-38.17,;24.89,-39.56,;27.08,-38.04,;27.73,-36.63,;26.84,-35.37,;25.31,-35.51,;24.63,-34.12,;25.58,-32.91,)| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.17E+3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced TNFalpha secretion preincubated for 1 hr followed by LPS-stimulation and measur... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559474
(CHEMBL4790464)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(F)cccc2C1=O |r,wU:7.6,wD:10.10,(8.39,-31.5,;8.74,-32.99,;7.54,-33.97,;6.21,-33.21,;4.88,-33.97,;4.88,-35.51,;3.55,-36.28,;3.55,-37.82,;4.88,-38.58,;4.87,-40.12,;3.54,-40.89,;3.53,-42.42,;2.22,-40.11,;2.22,-38.58,;6.21,-36.28,;7.55,-35.51,;8.77,-36.47,;10.28,-36.1,;11.17,-37.37,;10.52,-38.76,;12.71,-37.23,;13.36,-35.82,;12.47,-34.56,;10.93,-34.7,;10.26,-33.31,;11.2,-32.1,)| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.72E+3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced TNFalpha secretion preincubated for 1 hr followed by LPS-stimulation and measur... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559476
(CHEMBL4796417)Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2ccccc2C1=O |r,wU:7.6,wD:10.10,(41.22,-16.18,;41.58,-17.68,;40.37,-18.65,;39.04,-17.89,;37.72,-18.66,;37.71,-20.2,;36.38,-20.97,;36.38,-22.5,;37.72,-23.27,;37.71,-24.81,;36.37,-25.57,;36.37,-27.11,;35.05,-24.8,;35.05,-23.27,;39.04,-20.97,;40.38,-20.2,;41.6,-21.15,;43.11,-20.79,;44,-22.05,;45.54,-21.92,;46.19,-20.51,;45.3,-19.25,;43.77,-19.39,;43.09,-18,;44.03,-16.79,)| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced TNFalpha secretion preincubated for 1 hr followed by LPS-stimulation and measur... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559477
(CHEMBL4798210)Show SMILES CCO[C@@H]1CCCC[C@@H]1Nc1cc2N(C)c3ccccc3C(=O)N(C)c2cn1 |r| | PDB
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| PC cid
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| n/a | n/a | n/a | n/a | 2.95E+3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced TNFalpha secretion preincubated for 1 hr followed by LPS-stimulation and measur... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559478
(CHEMBL4800629)Show SMILES CCO[C@H]1CC[C@@H](CC1)Nc1cc2N(C)c3ccccc3C(=O)N(C)c2cn1 |r,wU:6.9,wD:3.2,(49.06,-13.98,;49.07,-12.44,;50.4,-11.68,;50.41,-10.14,;51.75,-9.38,;51.75,-7.83,;50.42,-7.07,;49.09,-7.83,;49.08,-9.36,;50.42,-5.53,;51.75,-4.76,;53.09,-5.53,;54.42,-4.76,;55.65,-5.72,;55.32,-7.22,;57.16,-5.35,;58.04,-6.62,;59.59,-6.48,;60.24,-5.07,;59.35,-3.81,;57.81,-3.95,;57.13,-2.56,;58.08,-1.35,;55.62,-2.23,;55.26,-.74,;54.41,-3.21,;53.08,-2.45,;51.76,-3.22,)| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.74E+3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced TNFalpha secretion preincubated for 1 hr followed by LPS-stimulation and measur... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559479
(CHEMBL4747052)Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(N[C@@H]3CC[C@H](O)CC3)cc12 |r,wU:17.17,20.21,(39.97,-8.02,;40.3,-6.52,;41.81,-6.15,;42.69,-7.42,;44.23,-7.28,;44.88,-5.87,;43.99,-4.61,;42.46,-4.75,;41.78,-3.36,;42.73,-2.15,;40.27,-3.04,;39.91,-1.55,;39.07,-4.02,;37.74,-3.26,;36.41,-4.02,;36.41,-5.56,;35.08,-6.33,;35.08,-7.87,;33.75,-8.63,;33.74,-10.16,;35.07,-10.94,;35.06,-12.47,;36.4,-10.17,;36.41,-8.63,;37.74,-6.33,;39.08,-5.56,)| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.07E+3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced TNFalpha secretion preincubated for 1 hr followed by LPS-stimulation and measur... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559469
(CHEMBL4788469)Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(N[C@H]3CC[C@H](O)CC3)cc12 |r,wU:17.17,wD:20.21,(8.15,-8.03,;8.47,-6.53,;9.98,-6.17,;10.87,-7.43,;12.41,-7.3,;13.06,-5.89,;12.17,-4.63,;10.64,-4.77,;9.96,-3.38,;10.91,-2.17,;8.45,-3.05,;8.09,-1.56,;7.24,-4.03,;5.91,-3.27,;4.59,-4.04,;4.59,-5.58,;3.26,-6.35,;3.25,-7.88,;4.59,-8.65,;4.58,-10.19,;3.25,-10.95,;3.24,-12.49,;1.92,-10.18,;1.93,-8.65,;5.92,-6.35,;7.25,-5.57,)| | PDB
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UniProtKB/SwissProt
B.MOAD
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced TNFalpha secretion preincubated for 1 hr followed by LPS-stimulation and measur... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116015
BindingDB Entry DOI: 10.7270/Q2TF021T |
More data for this
Ligand-Target Pair | |
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