Found 88 hits of Enzyme Inhibition Constant Data 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 |
|---|
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BRD2 BD1 to BD2 (G73 to A560 residues) (unknown origin) |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220432
(US9296741, 21)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H21N3O4S/c1-3-30(27,28)24-15-9-10-20(29-16-7-5-4-6-8-16)18(13-15)19-14-25(2)22(26)21-17(19)11-12-23-21/h4-14,23-24H,3H2,1-2H3 | PDB
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| Article
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human placental aldose reductase |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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| PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Bromodomain testis-specific protein
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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| Article
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220415
(US9296741, 4)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H19N3O4S/c1-24-13-18(16-10-11-22-20(16)21(24)25)17-12-14(23-29(2,26)27)8-9-19(17)28-15-6-4-3-5-7-15/h3-13,22-23H,1-2H3 | PDB
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| PDB
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220433
(US9296741, 22)Show SMILES CN(C)S(=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H22N4O4S/c1-25(2)31(28,29)24-15-9-10-20(30-16-7-5-4-6-8-16)18(13-15)19-14-26(3)22(27)21-17(19)11-12-23-21/h4-14,23-24H,1-3H3 | PDB
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| Article
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220445
(US9296741, 34)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2Cl)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H17ClFN3O4S/c1-26-11-16(14-7-8-24-20(14)21(26)27)15-10-13(25-31(2,28)29)4-6-18(15)30-19-5-3-12(23)9-17(19)22/h3-11,24-25H,1-2H3 | PDB
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| Article
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50241749
(CHEMBL4098055)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H20ClN3O4S/c1-3-31(28,29)25-15-6-9-20(30-16-7-4-14(23)5-8-16)18(12-15)19-13-26(2)22(27)21-17(19)10-11-24-21/h4-13,24-25H,3H2,1-2H3 | PDB
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220506
(US9296741, 95)Show SMILES Cn1cc(-c2cc(ccc2Oc2ccccc2)S(N)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C20H17N3O4S/c1-23-12-17(15-9-10-22-19(15)20(23)24)16-11-14(28(21,25)26)7-8-18(16)27-13-5-3-2-4-6-13/h2-12,22H,1H3,(H2,21,25,26) | PDB
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220468
(US9296741, 57)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCCCC2)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H25N3O4S/c1-24-13-18(16-10-11-22-20(16)21(24)25)17-12-14(23-29(2,26)27)8-9-19(17)28-15-6-4-3-5-7-15/h8-13,15,22-23H,3-7H2,1-2H3 | PDB
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220434
(US9296741, 23)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccccc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C20H18N4O4S/c1-24-12-17(15-8-9-21-18(15)20(24)25)16-10-13(23-29(2,26)27)11-22-19(16)28-14-6-4-3-5-7-14/h3-12,21,23H,1-2H3 | PDB
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| PC cid
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| Article
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| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220416
(US9296741, 5)Show SMILES Cn1cc(-c2cc(NS(=O)(=O)CC(F)(F)F)ccc2Oc2ccccc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C22H18F3N3O4S/c1-28-12-18(16-9-10-26-20(16)21(28)29)17-11-14(27-33(30,31)13-22(23,24)25)7-8-19(17)32-15-5-3-2-4-6-15/h2-12,26-27H,13H2,1H3 | PDB
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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220438
(US9296741, 27)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H17F2N3O4S/c1-26-11-16(14-7-8-24-20(14)21(26)27)15-10-13(25-31(2,28)29)4-6-18(15)30-19-5-3-12(22)9-17(19)23/h3-11,24-25H,1-2H3 | PDB
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| Article
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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations. |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220496
(US9296741, 85)Show SMILES Cn1cc(-c2cc(ccc2Oc2ccccc2)S(C)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H18N2O4S/c1-23-13-18(16-10-11-22-20(16)21(23)24)17-12-15(28(2,25)26)8-9-19(17)27-14-6-4-3-5-7-14/h3-13,22H,1-2H3 | PDB
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| PC cid
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| Article
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| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for its inhibitory activity against human placental aldose reductase |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220422
(US9296741, 11)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2cccnc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C20H18N4O4S/c1-24-12-17(15-7-9-22-19(15)20(24)25)16-10-13(23-29(2,26)27)5-6-18(16)28-14-4-3-8-21-11-14/h3-12,22-23H,1-2H3 | PDB
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| Article
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50241744
(CHEMBL4060619)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2C(F)(F)F)c2cc[nH]c2c1=O Show InChI InChI=1S/C22H18F3N3O4S/c1-28-12-16(14-9-10-26-20(14)21(28)29)15-11-13(27-33(2,30)31)7-8-18(15)32-19-6-4-3-5-17(19)22(23,24)25/h3-12,26-27H,1-2H3 | PDB
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UniChem
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| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50241743
(CHEMBL4059602)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(cc2)C(F)(F)F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C23H20F3N3O4S/c1-3-34(31,32)28-15-6-9-20(33-16-7-4-14(5-8-16)23(24,25)26)18(12-15)19-13-29(2)22(30)21-17(19)10-11-27-21/h4-13,27-28H,3H2,1-2H3 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220501
(US9296741, 90)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(cc2)C#N)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C23H20N4O4S/c1-3-32(29,30)26-16-6-9-21(31-17-7-4-15(13-24)5-8-17)19(12-16)20-14-27(2)23(28)22-18(20)10-11-25-22/h4-12,14,25-26H,3H2,1-2H3 | PDB
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| PC cid
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| Article
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| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220417
(US9296741, 6)Show SMILES CC(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19N3O3/c1-14(26)24-15-8-9-20(28-16-6-4-3-5-7-16)18(12-15)19-13-25(2)22(27)21-17(19)10-11-23-21/h3-13,23H,1-2H3,(H,24,26) | PDB
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| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for its inhibitory activity against human placental aldose reductase |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220473
(US9296741, 62)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2c(F)cc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H18F3N3O4S/c1-3-33(30,31)27-13-4-5-19(32-21-17(24)8-12(23)9-18(21)25)15(10-13)16-11-28(2)22(29)20-14(16)6-7-26-20/h4-11,26-27H,3H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Fibrinogen binding to Fibrinogen receptor |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220430
(US9296741, 19)Show SMILES Cn1cc(-c2cc(ccc2Oc2ccccc2)C(N)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H17N3O3/c1-24-12-17(15-9-10-23-19(15)21(24)26)16-11-13(20(22)25)7-8-18(16)27-14-5-3-2-4-6-14/h2-12,23H,1H3,(H2,22,25) | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220470
(US9296741, 59)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCC(F)(F)CC2)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H23F2N3O4S/c1-26-12-17(15-7-10-24-19(15)20(26)27)16-11-13(25-31(2,28)29)3-4-18(16)30-14-5-8-21(22,23)9-6-14/h3-4,7,10-12,14,24-25H,5-6,8-9H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50241753
(CHEMBL4061028)Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCC(CC2)N(C)C)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 |(2.37,-37.72,;3.71,-38.49,;5.04,-37.72,;4.26,-36.38,;5.8,-36.38,;6.38,-38.49,;7.7,-37.73,;9.04,-38.5,;10.38,-37.73,;10.37,-36.18,;11.7,-35.4,;13.04,-36.17,;13.04,-37.7,;14.37,-38.46,;15.71,-37.7,;15.71,-36.16,;14.37,-35.38,;17.04,-38.46,;17.04,-40,;18.37,-37.7,;9.04,-35.41,;7.71,-36.18,;9.02,-33.87,;7.69,-33.11,;7.69,-31.57,;6.36,-30.79,;9.03,-30.79,;9.03,-29.25,;10.36,-31.57,;11.82,-31.1,;12.71,-32.34,;11.8,-33.58,;10.35,-33.1,)| Show InChI InChI=1S/C24H32N4O4S/c1-5-33(30,31)26-16-6-11-22(32-18-9-7-17(8-10-18)27(2)3)20(14-16)21-15-28(4)24(29)23-19(21)12-13-25-23/h6,11-15,17-18,25-26H,5,7-10H2,1-4H3 | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220424
(US9296741, 13)Show SMILES CCNC(=O)c1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C23H21N3O3/c1-3-24-22(27)15-9-10-20(29-16-7-5-4-6-8-16)18(13-15)19-14-26(2)23(28)21-17(19)11-12-25-21/h4-14,25H,3H2,1-2H3,(H,24,27) | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220552
(US9296741, 141)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2cncnc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C20H19N5O4S/c1-3-30(27,28)24-13-4-5-18(29-14-9-21-12-22-10-14)16(8-13)17-11-25(2)20(26)19-15(17)6-7-23-19/h4-12,23-24H,3H2,1-2H3 | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220555
(US9296741, 144)Show SMILES CCS(=O)(=O)Nc1ccc(OCC(C)(C)C)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C21H27N3O4S/c1-6-29(26,27)23-14-7-8-18(28-13-21(2,3)4)16(11-14)17-12-24(5)20(25)19-15(17)9-10-22-19/h7-12,22-23H,6,13H2,1-5H3 | PDB
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220412
(US9296741, 1)Show InChI InChI=1S/C20H16N2O2/c1-22-13-17(16-11-12-21-19(16)20(22)23)15-9-5-6-10-18(15)24-14-7-3-2-4-8-14/h2-13,21H,1H3 | PDB
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Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220440
(US9296741, 29)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)c2cc[nH]c2c1=O Show InChI InChI=1S/C20H23N3O5S/c1-23-12-17(15-5-8-21-19(15)20(23)24)16-11-13(22-29(2,25)26)3-4-18(16)28-14-6-9-27-10-7-14/h3-5,8,11-12,14,21-22H,6-7,9-10H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220474
(US9296741, 63)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OCc2ccccc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C22H21N3O4S/c1-25-13-19(17-10-11-23-21(17)22(25)26)18-12-16(24-30(2,27)28)8-9-20(18)29-14-15-6-4-3-5-7-15/h3-13,23-24H,14H2,1-2H3 | PDB
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| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand. |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
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| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50241752
(CHEMBL4089203)Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCN(C)CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H28N4O4S/c1-4-31(28,29)24-15-5-6-20(30-16-8-11-25(2)12-9-16)18(13-15)19-14-26(3)22(27)21-17(19)7-10-23-21/h5-7,10,13-14,16,23-24H,4,8-9,11-12H2,1-3H3 | PDB
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| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50241750
(CHEMBL4088769)Show InChI InChI=1S/C18H15NO2/c1-19-13-14(11-12-18(19)20)16-9-5-6-10-17(16)21-15-7-3-2-4-8-15/h2-13H,1H3 | PDB
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| 890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50241734
(CHEMBL4082851)Show InChI InChI=1S/C18H15NO2/c1-13-11-14(12-19-18(13)20)16-9-5-6-10-17(16)21-15-7-3-2-4-8-15/h2-12H,1H3,(H,19,20) | PDB
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| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50241735
(CHEMBL4100828)Show InChI InChI=1S/C18H16N2O2/c1-20-12-13(11-16(19)18(20)21)15-9-5-6-10-17(15)22-14-7-3-2-4-8-14/h2-12H,19H2,1H3 | PDB
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| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Translocator protein
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | KEGG
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| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
NCI pathway
Reactome pathway
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| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2B receptor (unknown origin) |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain and WD repeat-containing protein 1
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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| n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT2B
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human PCAF (G715 to D831 residues) expressed in mammalian expression system by BROMOscan assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50241752
(CHEMBL4089203)Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCN(C)CC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H28N4O4S/c1-4-31(28,29)24-15-5-6-20(30-16-8-11-25(2)12-9-16)18(13-15)19-14-26(3)22(27)21-17(19)7-10-23-21/h5-7,10,13-14,16,23-24H,4,8-9,11-12H2,1-3H3 | PDB
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| n/a | n/a | n/a | n/a | 880 | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase p300
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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| n/a | n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human EP300 (A1040 to G1161 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220412
(US9296741, 1)Show InChI InChI=1S/C20H16N2O2/c1-22-13-17(16-11-12-21-19(16)20(22)23)15-9-5-6-10-18(15)24-14-7-3-2-4-8-14/h2-13,21H,1H3 | PDB
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| n/a | n/a | n/a | n/a | 480 | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif... |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220433
(US9296741, 22)Show SMILES CN(C)S(=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H22N4O4S/c1-25(2)31(28,29)24-15-9-10-20(30-16-7-5-4-6-8-16)18(13-15)19-14-26(3)22(27)21-17(19)11-12-23-21/h4-14,23-24H,1-3H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif... |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220474
(US9296741, 63)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OCc2ccccc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C22H21N3O4S/c1-25-13-19(17-10-11-23-21(17)22(25)26)18-12-16(24-30(2,27)28)8-9-20(18)29-14-15-6-4-3-5-7-15/h3-13,23-24H,14H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50241734
(CHEMBL4082851)Show InChI InChI=1S/C18H15NO2/c1-13-11-14(12-19-18(13)20)16-9-5-6-10-17(16)21-15-7-3-2-4-8-15/h2-12H,1H3,(H,19,20) | PDB
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| n/a | n/a | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220415
(US9296741, 4)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H19N3O4S/c1-24-13-18(16-10-11-22-20(16)21(24)25)17-12-14(23-29(2,26)27)8-9-19(17)28-15-6-4-3-5-7-15/h3-13,22-23H,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220506
(US9296741, 95)Show SMILES Cn1cc(-c2cc(ccc2Oc2ccccc2)S(N)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C20H17N3O4S/c1-23-12-17(15-9-10-22-19(15)20(23)24)16-11-14(28(21,25)26)7-8-18(16)27-13-5-3-2-4-6-13/h2-12,22H,1H3,(H2,21,25,26) | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Protein polybromo-1
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human PBRM1 bromodamian-5 (S645 to D766 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50241749
(CHEMBL4098055)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H20ClN3O4S/c1-3-31(28,29)25-15-6-9-20(30-16-7-4-14(23)5-8-16)18(12-15)19-13-26(2)22(27)21-17(19)10-11-24-21/h4-13,24-25H,3H2,1-2H3 | PDB
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| n/a | n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif... |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220468
(US9296741, 57)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCCCC2)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H25N3O4S/c1-24-13-18(16-10-11-22-20(16)21(24)25)17-12-14(23-29(2,26)27)8-9-19(17)28-15-6-4-3-5-7-15/h8-13,15,22-23H,3-7H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220432
(US9296741, 21)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H21N3O4S/c1-3-30(27,28)24-15-9-10-20(29-16-7-5-4-6-8-16)18(13-15)19-14-25(2)22(26)21-17(19)11-12-23-21/h4-14,23-24H,3H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220434
(US9296741, 23)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccccc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C20H18N4O4S/c1-24-12-17(15-8-9-21-18(15)20(24)25)16-10-13(23-29(2,26)27)11-22-19(16)28-14-6-4-3-5-7-14/h3-12,21,23H,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220501
(US9296741, 90)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(cc2)C#N)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C23H20N4O4S/c1-3-32(29,30)26-16-6-9-21(31-17-7-4-15(13-24)5-8-17)19(12-16)20-14-27(2)23(28)22-18(20)10-11-25-22/h4-12,14,25-26H,3H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Transcription activator BRG1
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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| n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220470
(US9296741, 59)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCC(F)(F)CC2)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H23F2N3O4S/c1-26-12-17(15-7-10-24-19(15)20(26)27)16-11-13(25-31(2,28)29)3-4-18(16)30-14-5-8-21(22,23)9-6-14/h3-4,7,10-12,14,24-25H,5-6,8-9H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif... |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50241753
(CHEMBL4061028)Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCC(CC2)N(C)C)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 |(2.37,-37.72,;3.71,-38.49,;5.04,-37.72,;4.26,-36.38,;5.8,-36.38,;6.38,-38.49,;7.7,-37.73,;9.04,-38.5,;10.38,-37.73,;10.37,-36.18,;11.7,-35.4,;13.04,-36.17,;13.04,-37.7,;14.37,-38.46,;15.71,-37.7,;15.71,-36.16,;14.37,-35.38,;17.04,-38.46,;17.04,-40,;18.37,-37.7,;9.04,-35.41,;7.71,-36.18,;9.02,-33.87,;7.69,-33.11,;7.69,-31.57,;6.36,-30.79,;9.03,-30.79,;9.03,-29.25,;10.36,-31.57,;11.82,-31.1,;12.71,-32.34,;11.8,-33.58,;10.35,-33.1,)| Show InChI InChI=1S/C24H32N4O4S/c1-5-33(30,31)26-16-6-11-22(32-18-9-7-17(8-10-18)27(2)3)20(14-16)21-15-28(4)24(29)23-19(21)12-13-25-23/h6,11-15,17-18,25-26H,5,7-10H2,1-4H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif... |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase TRIM33
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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| n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human placental aldose reductase |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain adjacent to zinc finger domain protein 2A
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50241735
(CHEMBL4100828)Show InChI InChI=1S/C18H16N2O2/c1-20-12-13(11-16(19)18(20)21)15-9-5-6-10-17(15)22-14-7-3-2-4-8-14/h2-12H,19H2,1H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220416
(US9296741, 5)Show SMILES Cn1cc(-c2cc(NS(=O)(=O)CC(F)(F)F)ccc2Oc2ccccc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C22H18F3N3O4S/c1-28-12-18(16-9-10-26-20(16)21(28)29)17-11-14(27-33(30,31)13-22(23,24)25)7-8-19(17)32-15-5-3-2-4-6-15/h2-12,26-27H,13H2,1H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220496
(US9296741, 85)Show SMILES Cn1cc(-c2cc(ccc2Oc2ccccc2)S(C)(=O)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H18N2O4S/c1-23-13-18(16-10-11-22-20(16)21(23)24)17-12-15(28(2,25)26)8-9-19(17)27-14-6-4-3-5-7-14/h3-13,22H,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif... |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220445
(US9296741, 34)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2Cl)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H17ClFN3O4S/c1-26-11-16(14-7-8-24-20(14)21(26)27)15-10-13(25-31(2,28)29)4-6-18(15)30-19-5-3-12(23)9-17(19)22/h3-11,24-25H,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif... |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220440
(US9296741, 29)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)c2cc[nH]c2c1=O Show InChI InChI=1S/C20H23N3O5S/c1-23-12-17(15-5-8-21-19(15)20(23)24)16-11-13(22-29(2,25)26)3-4-18(16)28-14-6-9-27-10-7-14/h3-5,8,11-12,14,21-22H,6-7,9-10H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain adjacent to zinc finger domain protein 2B
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human BAZ2B (S2054 to S2168 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50241743
(CHEMBL4059602)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(cc2)C(F)(F)F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C23H20F3N3O4S/c1-3-34(31,32)28-15-6-9-20(33-16-7-4-14(5-8-16)23(24,25)26)18(12-15)19-13-29(2)22(30)21-17(19)10-11-27-21/h4-13,27-28H,3H2,1-2H3 | PDB
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| n/a | n/a | n/a | n/a | 65 | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Transcription initiation factor TFIID subunit 1-like
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human TAF1L (2) (Q1523 to D1654 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220555
(US9296741, 144)Show SMILES CCS(=O)(=O)Nc1ccc(OCC(C)(C)C)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C21H27N3O4S/c1-6-29(26,27)23-14-7-8-18(28-13-21(2,3)4)16(11-14)17-12-24(5)20(25)19-15(17)9-10-22-19/h7-12,22-23H,6,13H2,1-5H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50241750
(CHEMBL4088769)Show InChI InChI=1S/C18H15NO2/c1-19-13-14(11-12-18(19)20)16-9-5-6-10-17(16)21-15-7-3-2-4-8-15/h2-13H,1H3 | PDB
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| n/a | n/a | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for its inhibitory activity against human placental aldose reductase |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220473
(US9296741, 62)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2c(F)cc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H18F3N3O4S/c1-3-33(30,31)27-13-4-5-19(32-21-17(24)8-12(23)9-18(21)25)15(10-13)16-11-28(2)22(29)20-14(16)6-7-26-20/h4-11,26-27H,3H2,1-2H3 | PDB
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Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220422
(US9296741, 11)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2cccnc2)c2cc[nH]c2c1=O Show InChI InChI=1S/C20H18N4O4S/c1-24-12-17(15-7-9-22-19(15)20(24)25)16-10-13(23-29(2,26)27)5-6-18(16)28-14-4-3-8-21-11-14/h3-12,22-23H,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif... |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 8
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | UniProtKB/SwissProt
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| n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220417
(US9296741, 6)Show SMILES CC(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19N3O3/c1-14(26)24-15-8-9-20(28-16-6-4-3-5-7-16)18(12-15)19-13-25(2)22(27)21-17(19)10-11-23-21/h3-13,23H,1-2H3,(H,24,26) | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220438
(US9296741, 27)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H17F2N3O4S/c1-26-11-16(14-7-8-24-20(14)21(26)27)15-10-13(25-31(2,28)29)4-6-18(15)30-19-5-3-12(22)9-17(19)23/h3-11,24-25H,1-2H3 | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 153 | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif... |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to N-terminal His6-tagged human BRD4 BD1 to BD2 (K57 to K550 residues) by isothermal titration calorimetry |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain and PHD finger-containing protein 3
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human BRPF3 (E588 to G701 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Chromatin remodeling regulator CECR2
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human CECR2 (P423 to D543 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220552
(US9296741, 141)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2cncnc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C20H19N5O4S/c1-3-30(27,28)24-13-4-5-18(29-14-9-21-12-22-10-14)16(8-13)17-11-25(2)20(26)19-15(17)6-7-23-19/h4-12,23-24H,3H2,1-2H3 | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo lucif... |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human BRPF1 (E627 to G740 residues) expressed in bacterial expression system by BROMOscan assay |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220424
(US9296741, 13)Show SMILES CCNC(=O)c1ccc(Oc2ccccc2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C23H21N3O3/c1-3-24-22(27)15-9-10-20(29-16-7-5-4-6-8-16)18(13-15)19-14-26(2)23(28)21-17(19)11-12-25-21/h4-14,25H,3H2,1-2H3,(H,24,27) | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pentazocine as radioligand. |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Protein polybromo-1
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM220430
(US9296741, 19)Show SMILES Cn1cc(-c2cc(ccc2Oc2ccccc2)C(N)=O)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H17N3O3/c1-24-12-17(15-9-10-23-19(15)21(24)26)16-11-13(20(22)25)7-8-18(16)27-14-5-3-2-4-6-14/h2-12,23H,1H3,(H2,22,25) | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50241744
(CHEMBL4060619)Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2C(F)(F)F)c2cc[nH]c2c1=O Show InChI InChI=1S/C22H18F3N3O4S/c1-28-12-16(14-9-10-26-20(14)21(28)29)15-11-13(27-33(2,30)31)7-8-18(15)32-19-6-4-3-5-17(19)22(23,24)25/h3-12,26-27H,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
Transcription intermediary factor 1-alpha
(Homo sapiens (Human)) | BDBM220447
(US10633379, Compound X | US9296741, 36)Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | PDB
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Curated by ChEMBL
| Assay Description
Inhibitory activity against human placental aldose reductase |
J Med Chem 60: 8369-8384 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8 |
More data for this
Ligand-Target Pair | |
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