Found 638 hits with Last Name = 'xian' and Initial = 'w' 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 |
|---|
Androgen receptor
(Homo sapiens (Human)) | BDBM29320
(BMS-665139 | oxazolidin-2-imine, 6c)Show SMILES [H][C@@]12[C@@H](O)CCN1\C(O[C@H]2C(F)(F)F)=N\c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)21-14-22-5-4-10(23)12(22)13(24-14)15(17,18)19/h2-3,10,12-13,23H,4-5H2,1H3/b21-14-/t10-,12-,13+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| DrugBank
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM50215713
(2-Chloro-4-((3aS,4R)-4-hydroxy-1,1,3-trioxo-tetrah...)Show SMILES Cc1c(Cl)c(ccc1N1C(=O)[C@@H]2[C@H](O)CCN2S1(=O)=O)C#N |r| Show InChI InChI=1S/C13H12ClN3O4S/c1-7-9(3-2-8(6-15)11(7)14)17-13(19)12-10(18)4-5-16(12)22(17,20)21/h2-3,10,12,18H,4-5H2,1H3/t10-,12+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50529668
(Enobosarm | Gtx-024 | MK-2866 | Ostarine | US10806...)Show SMILES C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM18177
(4-[(1S,7S,7aR)-1-ethyl-7-hydroxy-3-oxo-hexahydro-1...)Show SMILES [H][C@@]12[C@@H](O)CCN1C(=O)N([C@H]2CC)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C16H18ClN3O2/c1-3-11-15-13(21)6-7-19(15)16(22)20(11)12-5-4-10(8-18)14(17)9(12)2/h4-5,11,13,15,21H,3,6-7H2,1-2H3/t11-,13-,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18215
((2S)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...)Show SMILES C[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10/h2-4,7H,5-6H2,1H3,(H,22,24)/t7-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50598587
(CHEMBL5170587)Show SMILES [H][C@@]1(CCCN1c1ccc(C#N)c(c1)C(F)(F)F)[C@@H](O)C(F)(F)F |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50122650
(CHEMBL3623127)Show SMILES [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)CC)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11| Show InChI InChI=1S/C20H20F3N3O5S/c1-4-32(29,30)25-13-8-18(2)14-15(19(13,3)31-18)17(28)26(16(14)27)11-6-5-10(9-24)12(7-11)20(21,22)23/h5-7,13-15,25H,4,8H2,1-3H3/t13-,14-,15+,18+,19+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50520653
(CHEMBL4555209)Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1 Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-14-28-13-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-26(2)12-17/h3-7,11-12H,10,13-14H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD2 BD1 (72 to 205 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Mus musculus) | BDBM50598592
(CHEMBL5169599) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520669
(CHEMBL4544682)Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cccnc1 Show InChI InChI=1S/C23H18N4OS/c1-16-25-26-22-15-28-14-20-19(12-17-6-3-2-4-7-17)21(29-23(20)27(16)22)10-9-18-8-5-11-24-13-18/h2-8,11,13H,12,14-15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520653
(CHEMBL4555209)Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1 Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-14-28-13-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-26(2)12-17/h3-7,11-12H,10,13-14H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50598599
(CHEMBL5186213)Show SMILES [H][C@@]12C(=O)N(C(=O)[C@]1([H])[C@]1(C)O[C@@]2(C)C[C@H]1O)c1ccc(C#N)c(I)c1 |r,TLB:2:1:14.15:11,16:15:1.7:11| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50520653
(CHEMBL4555209)Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1 Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-14-28-13-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-26(2)12-17/h3-7,11-12H,10,13-14H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD3 BD1 (24 to 144 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520667
(CHEMBL4463778)Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1ccccn1 Show InChI InChI=1S/C23H18N4OS/c1-16-25-26-22-15-28-14-20-19(13-17-7-3-2-4-8-17)21(29-23(20)27(16)22)11-10-18-9-5-6-12-24-18/h2-9,12H,13-15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50598597
(BMS-564929 | CHEMBL229264)Show SMILES [H][C@@]12[C@H](O)CCN1C(=O)N(C2=O)c1ccc(C#N)c(Cl)c1C |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520658
(CHEMBL4452894)Show InChI InChI=1S/C21H19N3OS/c1-14-22-23-20-13-25-12-18-17(11-16-5-3-2-4-6-16)19(10-9-15-7-8-15)26-21(18)24(14)20/h2-6,15H,7-8,11-13H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18665
((2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[...)Show SMILES CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520649
(CHEMBL4532913)Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1ccncc1 Show InChI InChI=1S/C23H18N4OS/c1-16-25-26-22-15-28-14-20-19(13-18-5-3-2-4-6-18)21(29-23(20)27(16)22)8-7-17-9-11-24-12-10-17/h2-6,9-12H,13-15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18524
(6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromet...)Show SMILES FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM18656
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)/t12-,13+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
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
KEGG
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CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50092312
(Birabresib | MK-8628 | OTX-015)Show SMILES [H][C@@]1(CC(=O)Nc2ccc(O)cc2)N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1 | PDB
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PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM50252176
(CHEMBL518945 | N-[4-[(Benzyl)(4-nitrophenyl)amino]...)Show SMILES Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C23H24N4O3/c1-24-17-21(15-22(24)23(28)25-13-5-6-14-25)26(16-18-7-3-2-4-8-18)19-9-11-20(12-10-19)27(29)30/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM18656
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)/t12-,13+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| PC cid
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UniChem
Similars
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50520653
(CHEMBL4555209)Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1 Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-14-28-13-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-26(2)12-17/h3-7,11-12H,10,13-14H2,1-2H3 | PDB
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| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD3 BD2 (306 to 417 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18522
(6-(1-Pyrrolidine)quinolin-2(1H)-one, 6a | 6-[(2R,5...)Show SMILES C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O2/c1-8-2-5-13(15(27)17(21,22)23)25(8)9-3-4-12-10(6-9)11(16(18,19)20)7-14(26)24-12/h3-4,6-8,13,15,27H,2,5H2,1H3,(H,24,26)/t8-,13-,15-/m1/s1 | PDB
MMDB
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PC sid
UniChem
Similars
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50598591
(CHEMBL5189325)Show SMILES C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1C)c1ccc(o1)-c1ccc(cc1)C#N |r| | PDB
MMDB
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| PC cid
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UniChem
| Article
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50598601
(CHEMBL5194764)Show SMILES [H][C@]12C[C@H](F)[C@]([H])(C1)[C@@]1(C(=O)NC)C(=O)N(C(=O)[C@@]21[H])c1ccc(C#N)c(c1)C(F)(F)F |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50520653
(CHEMBL4555209)Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1 Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-14-28-13-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-26(2)12-17/h3-7,11-12H,10,13-14H2,1-2H3 | PDB
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UniChem
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| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD2 BD2 (349 to 460 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50598586
(CHEMBL5187916)Show SMILES CC(C)(C)OC(=O)c1cccc2oc(=O)c3c(ccc4[nH]c(=O)cc(c34)C(F)(F)F)c12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520665
(CHEMBL4458148)Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#CC1CCC1 Show InChI InChI=1S/C22H21N3OS/c1-15-23-24-21-14-26-13-19-18(12-17-6-3-2-4-7-17)20(27-22(19)25(15)21)11-10-16-8-5-9-16/h2-4,6-7,16H,5,8-9,12-14H2,1H3 | PDB
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| PC cid
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UniChem
| Article
PubMed
| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520661
(CHEMBL4441402)Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#CC1CCOCC1 Show InChI InChI=1S/C23H23N3O2S/c1-16-24-25-22-15-28-14-20-19(13-18-5-3-2-4-6-18)21(29-23(20)26(16)22)8-7-17-9-11-27-12-10-17/h2-6,17H,9-15H2,1H3 | PDB
KEGG
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| PC cid
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UniChem
| Article
PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1 | PDB
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| MMDB
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Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520668
(CHEMBL4464152)Show InChI InChI=1S/C20H19N3O2S/c1-14-21-22-19-13-25-12-17-16(11-15-7-3-2-4-8-15)18(9-5-6-10-24)26-20(17)23(14)19/h2-4,7-8,24H,6,10-13H2,1H3 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520650
(CHEMBL4440466)Show SMILES CC(C)C#Cc1sc-2c(COCc3nnc(C)n-23)c1Cc1ccccc1 Show InChI InChI=1S/C21H21N3OS/c1-14(2)9-10-19-17(11-16-7-5-4-6-8-16)18-12-25-13-20-23-22-15(3)24(20)21(18)26-19/h4-8,14H,11-13H2,1-3H3 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50598600
(CHEMBL5189989)Show SMILES [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)CN(C[C@@]2(C)O1)C(C)C)c1ccc(C#N)c(c1)C(F)(F)F |r,THB:5:7:16:11.13.12,17:12:7.1:16| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520651
(CHEMBL4556533)Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cncn1C Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-13-28-12-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-14-26(17)2/h3-7,11,14H,10,12-13H2,1-2H3 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18190
(6-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyri...)Show InChI InChI=1S/C15H15F3N2O/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(21)20-13/h5-8,19H,2-4H2,1H3,(H,20,21) | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50156504
((1S,6R,7S)-4-(4-Cyano-3-trifluoromethyl-phenyl)-3,...)Show SMILES Oc1c2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)n2c(=O)n1-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H14F4N4O4/c23-12-2-5-15(6-3-12)34-21(33)28-10-14-8-17(28)18-19(31)30(20(32)29(14)18)13-4-1-11(9-27)16(7-13)22(24,25)26/h1-7,14,17,31H,8,10H2/t14-,17-/m0/s1 | PDB
MMDB
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Reactome pathway
KEGG
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UniChem
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| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520653
(CHEMBL4555209)Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(C)c1 Show InChI InChI=1S/C22H19N5OS/c1-15-24-25-21-14-28-13-19-18(10-16-6-4-3-5-7-16)20(29-22(19)27(15)21)9-8-17-11-23-26(2)12-17/h3-7,11-12H,10,13-14H2,1-2H3 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD2 (333 to 460 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520666
(CHEMBL4439187)Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#CC1CCCC1 Show InChI InChI=1S/C23H23N3OS/c1-16-24-25-22-15-27-14-20-19(13-18-9-3-2-4-10-18)21(28-23(20)26(16)22)12-11-17-7-5-6-8-17/h2-4,9-10,17H,5-8,13-15H2,1H3 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520660
(CHEMBL4536208)Show SMILES CN1CCC(CC1)C#Cc1sc-2c(COCc3nnc(C)n-23)c1Cc1ccccc1 Show InChI InChI=1S/C24H26N4OS/c1-17-25-26-23-16-29-15-21-20(14-19-6-4-3-5-7-19)22(30-24(21)28(17)23)9-8-18-10-12-27(2)13-11-18/h3-7,18H,10-16H2,1-2H3 | PDB
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| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520652
(CHEMBL4562288)Show InChI InChI=1S/C17H17N3OS/c1-11-14(8-13-6-4-3-5-7-13)15-9-21-10-16-19-18-12(2)20(16)17(15)22-11/h3-7H,8-10H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM50594919
(Anavar | CHEBI:7820 | Lonavar | NSC-67068 | OXANDR...)Show SMILES [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)OC[C@]12C | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520670
(CHEMBL4459071)Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#CC1CCCCC1 Show InChI InChI=1S/C24H25N3OS/c1-17-25-26-23-16-28-15-21-20(14-19-10-6-3-7-11-19)22(29-24(21)27(17)23)13-12-18-8-4-2-5-9-18/h3,6-7,10-11,18H,2,4-5,8-9,14-16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520648
(CHEMBL4541865)Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#CC(C)(C)C Show InChI InChI=1S/C22H23N3OS/c1-15-23-24-20-14-26-13-18-17(12-16-8-6-5-7-9-16)19(10-11-22(2,3)4)27-21(18)25(15)20/h5-9H,12-14H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520659
(CHEMBL4544722)Show SMILES Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#CC1CCNCC1 Show InChI InChI=1S/C23H24N4OS/c1-16-25-26-22-15-28-14-20-19(13-18-5-3-2-4-6-18)21(29-23(20)27(16)22)8-7-17-9-11-24-12-10-17/h2-6,17,24H,9-15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520656
(CHEMBL4449965)Show InChI InChI=1S/C18H15N3OS/c1-3-16-14(9-13-7-5-4-6-8-13)15-10-22-11-17-20-19-12(2)21(17)18(15)23-16/h1,4-8H,9-11H2,2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50598598
(CHEMBL5186356)Show SMILES [H][C@@]12CN(C(=O)Oc3ccc(CCCC)cc3)[C@@]([H])(C1)[C@@]1([H])N2C(=O)N(C1=O)c1ccc([N+]([O-])=O)c2ccccc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00716
BindingDB Entry DOI: 10.7270/Q2J1076H |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50520657
(CHEMBL4435128)Show SMILES CN(C)CC#Cc1sc-2c(COCc3nnc(C)n-23)c1Cc1ccccc1 Show InChI InChI=1S/C21H22N4OS/c1-15-22-23-20-14-26-13-18-17(12-16-8-5-4-6-9-16)19(10-7-11-24(2)3)27-21(18)25(15)20/h4-6,8-9H,11-14H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay |
J Med Chem 61: 6685-6704 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00506
BindingDB Entry DOI: 10.7270/Q27S7S54 |
More data for this
Ligand-Target Pair | |
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