Found 201 hits with Last Name = 'strovel' and Initial = 'jw' 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 |
|---|
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM25121
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50112336
(CHEMBL3609305)Show SMILES CC[C@@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50112340
(CHEMBL3609310)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(OC)c3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-19-10-11-21(24(16-19)38-4)26(36)30-18-12-14-33(2)15-13-18/h10-11,16-18,20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50112344
(CHEMBL3609314)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C32H45N7O3/c1-4-26-31(41)38(3)27-20-33-32(36-29(27)39(26)23-9-5-6-10-23)35-25-14-13-21(19-28(25)42-24-11-7-8-12-24)30(40)34-22-15-17-37(2)18-16-22/h13-14,19-20,22-24,26H,4-12,15-18H2,1-3H3,(H,34,40)(H,33,35,36)/t26-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50112331
(CHEMBL3609300)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(CC)C1=O |r| Show InChI InChI=1S/C29H41N7O3/c1-5-23-28(38)35(6-2)24-18-30-29(33-26(24)36(23)21-9-7-8-10-21)32-22-12-11-19(17-25(22)39-4)27(37)31-20-13-15-34(3)16-14-20/h11-12,17-18,20-21,23H,5-10,13-16H2,1-4H3,(H,31,37)(H,30,32,33)/t23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50112337
(CHEMBL3609306)Show SMILES COc1cc(ccc1Nc1ncc2N(Cc3ccccc3)C(=O)[C@@H](Cc3ccccc3)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C39H45N7O3/c1-44-21-19-30(20-22-44)41-37(47)29-17-18-32(35(24-29)49-2)42-39-40-25-34-36(43-39)46(31-15-9-10-16-31)33(23-27-11-5-3-6-12-27)38(48)45(34)26-28-13-7-4-8-14-28/h3-8,11-14,17-18,24-25,30-31,33H,9-10,15-16,19-23,26H2,1-2H3,(H,41,47)(H,40,42,43)/t33-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50112339
(CHEMBL3609308)Show SMILES CC[C@H]1N(Cc2cccc(Br)c2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C30H36BrN7O3/c1-5-24-29(40)37(3)25-17-32-30(35-27(25)38(24)18-19-7-6-8-21(31)15-19)34-23-10-9-20(16-26(23)41-4)28(39)33-22-11-13-36(2)14-12-22/h6-10,15-17,22,24H,5,11-14,18H2,1-4H3,(H,33,39)(H,32,34,35)/t24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50112338
(CHEMBL3609307)Show SMILES CC[C@H]1N(CC(C)C)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C27H39N7O3/c1-7-21-26(36)33(5)22-15-28-27(31-24(22)34(21)16-17(2)3)30-20-9-8-18(14-23(20)37-6)25(35)29-19-10-12-32(4)13-11-19/h8-9,14-15,17,19,21H,7,10-13,16H2,1-6H3,(H,29,35)(H,28,30,31)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50112339
(CHEMBL3609308)Show SMILES CC[C@H]1N(Cc2cccc(Br)c2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C30H36BrN7O3/c1-5-24-29(40)37(3)25-17-32-30(35-27(25)38(24)18-19-7-6-8-21(31)15-19)34-23-10-9-20(16-26(23)41-4)28(39)33-22-11-13-36(2)14-12-22/h6-10,15-17,22,24H,5,11-14,18H2,1-4H3,(H,33,39)(H,32,34,35)/t24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50112344
(CHEMBL3609314)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C32H45N7O3/c1-4-26-31(41)38(3)27-20-33-32(36-29(27)39(26)23-9-5-6-10-23)35-25-14-13-21(19-28(25)42-24-11-7-8-12-24)30(40)34-22-15-17-37(2)18-16-22/h13-14,19-20,22-24,26H,4-12,15-18H2,1-3H3,(H,34,40)(H,33,35,36)/t26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50112342
(CHEMBL3609312)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCC(C)C)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C31H45N7O3/c1-6-25-30(40)37(5)26-18-32-31(35-28(26)38(25)23-9-7-8-10-23)34-24-12-11-21(17-27(24)41-19-20(2)3)29(39)33-22-13-15-36(4)16-14-22/h11-12,17-18,20,22-23,25H,6-10,13-16,19H2,1-5H3,(H,33,39)(H,32,34,35)/t25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50112340
(CHEMBL3609310)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(OC)c3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-19-10-11-21(24(16-19)38-4)26(36)30-18-12-14-33(2)15-13-18/h10-11,16-18,20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50112341
(CHEMBL3609311)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3F)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C27H36FN7O2/c1-4-22-26(37)34(3)23-16-29-27(32-24(23)35(22)19-7-5-6-8-19)31-21-10-9-17(15-20(21)28)25(36)30-18-11-13-33(2)14-12-18/h9-10,15-16,18-19,22H,4-8,11-14H2,1-3H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50112336
(CHEMBL3609305)Show SMILES CC[C@@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM25121
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM26514
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C27H37N7O2/c1-4-22-26(36)33(3)23-17-28-27(31-24(23)34(22)21-7-5-6-8-21)30-19-11-9-18(10-12-19)25(35)29-20-13-15-32(2)16-14-20/h9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,29,35)(H,28,30,31)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50112345
(CHEMBL3609315)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Oc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H38N6O4/c1-5-21-27(36)33(3)22-17-29-28(31-25(22)34(21)20-8-6-7-9-20)38-23-11-10-18(16-24(23)37-4)26(35)30-19-12-14-32(2)15-13-19/h10-11,16-17,19-21H,5-9,12-15H2,1-4H3,(H,30,35)/t21-/m1/s1 | PDB
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PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50112343
(CHEMBL3609313)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCc3ccccc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C34H43N7O3/c1-4-28-33(43)40(3)29-21-35-34(38-31(29)41(28)26-12-8-9-13-26)37-27-15-14-24(32(42)36-25-16-18-39(2)19-17-25)20-30(27)44-22-23-10-6-5-7-11-23/h5-7,10-11,14-15,20-21,25-26,28H,4,8-9,12-13,16-19,22H2,1-3H3,(H,36,42)(H,35,37,38)/t28-/m1/s1 | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50112345
(CHEMBL3609315)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Oc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H38N6O4/c1-5-21-27(36)33(3)22-17-29-28(31-25(22)34(21)20-8-6-7-9-20)38-23-11-10-18(16-24(23)37-4)26(35)30-19-12-14-32(2)15-13-19/h10-11,16-17,19-21H,5-9,12-15H2,1-4H3,(H,30,35)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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| Article
PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50112331
(CHEMBL3609300)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(CC)C1=O |r| Show InChI InChI=1S/C29H41N7O3/c1-5-23-28(38)35(6-2)24-18-30-29(33-26(24)36(23)21-9-7-8-10-21)32-22-12-11-19(17-25(22)39-4)27(37)31-20-13-15-34(3)16-14-20/h11-12,17-18,20-21,23H,5-10,13-16H2,1-4H3,(H,31,37)(H,30,32,33)/t23-/m1/s1 | PDB
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| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50112338
(CHEMBL3609307)Show SMILES CC[C@H]1N(CC(C)C)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C27H39N7O3/c1-7-21-26(36)33(5)22-15-28-27(31-24(22)34(21)16-17(2)3)30-20-9-8-18(14-23(20)37-6)25(35)29-19-10-12-32(4)13-11-19/h8-9,14-15,17,19,21H,7,10-13,16H2,1-6H3,(H,29,35)(H,28,30,31)/t21-/m1/s1 | PDB
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| 970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50112335
(CHEMBL3609304)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C26H35N7O3/c1-31-12-10-18(11-13-31)28-25(35)17-8-9-20(22(14-17)36-3)29-26-27-15-21-24(30-26)33(16-23(34)32(21)2)19-6-4-5-7-19/h8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,28,35)(H,27,29,30) | PDB
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| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50112332
(CHEMBL3609301)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C(C)C)C1=O |r| Show InChI InChI=1S/C30H43N7O3/c1-6-24-29(39)36(19(2)3)25-18-31-30(34-27(25)37(24)22-9-7-8-10-22)33-23-12-11-20(17-26(23)40-5)28(38)32-21-13-15-35(4)16-14-21/h11-12,17-19,21-22,24H,6-10,13-16H2,1-5H3,(H,32,38)(H,31,33,34)/t24-/m1/s1 | PDB
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| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50112315
(CHEMBL3609299)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2NC1=O |r| Show InChI InChI=1S/C27H37N7O3/c1-4-22-26(36)30-21-16-28-27(32-24(21)34(22)19-7-5-6-8-19)31-20-10-9-17(15-23(20)37-3)25(35)29-18-11-13-33(2)14-12-18/h9-10,15-16,18-19,22H,4-8,11-14H2,1-3H3,(H,29,35)(H,30,36)(H,28,31,32)/t22-/m1/s1 | PDB
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| 7.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50112337
(CHEMBL3609306)Show SMILES COc1cc(ccc1Nc1ncc2N(Cc3ccccc3)C(=O)[C@@H](Cc3ccccc3)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C39H45N7O3/c1-44-21-19-30(20-22-44)41-37(47)29-17-18-32(35(24-29)49-2)42-39-40-25-34-36(43-39)46(31-15-9-10-16-31)33(23-27-11-5-3-6-12-27)38(48)45(34)26-28-13-7-4-8-14-28/h3-8,11-14,17-18,24-25,30-31,33H,9-10,15-16,19-23,26H2,1-2H3,(H,41,47)(H,40,42,43)/t33-/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50112334
(CHEMBL3609303)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C34H43N7O3/c1-4-28-33(43)40(22-23-10-6-5-7-11-23)29-21-35-34(38-31(29)41(28)26-12-8-9-13-26)37-27-15-14-24(20-30(27)44-3)32(42)36-25-16-18-39(2)19-17-25/h5-7,10-11,14-15,20-21,25-26,28H,4,8-9,12-13,16-19,22H2,1-3H3,(H,36,42)(H,35,37,38)/t28-/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50112333
(CHEMBL3609302)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(CC(C)C)C1=O |r| Show InChI InChI=1S/C31H45N7O3/c1-6-25-30(40)37(19-20(2)3)26-18-32-31(35-28(26)38(25)23-9-7-8-10-23)34-24-12-11-21(17-27(24)41-5)29(39)33-22-13-15-36(4)16-14-22/h11-12,17-18,20,22-23,25H,6-10,13-16,19H2,1-5H3,(H,33,39)(H,32,34,35)/t25-/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50545934
(CHEMBL4761474)Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2nc(nc(N3CCOC[C@@H]3c3ccc(F)cc3)c2c1)-c1cnn(CC(C)(C)O)c1 |r| | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human full-length recombinant N-terminal His-tagged BRD4 (2 to 1362 residues) expressed in Sf9 cells using histone H4 peptide containin... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.03.014
BindingDB Entry DOI: 10.7270/Q2FT8QMQ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50545933
(CHEMBL4748580)Show SMILES Cc1cc(cn(C)c1=O)-c1ccc2nc(nc(N3CCOC[C@@H]3c3ccccc3)c2c1)-c1cnn(CC(C)(C)O)c1 |r| | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human full-length recombinant N-terminal His-tagged BRD4 (2 to 1362 residues) expressed in Sf9 cells using histone H4 peptide containin... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.03.014
BindingDB Entry DOI: 10.7270/Q2FT8QMQ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50545923
(CHEMBL4762081)Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(N3CCOC[C@@H]3c3ccc(F)cc3)c2c1)-c1cnn(CC(C)(C)O)c1 |r| | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human full-length recombinant N-terminal His-tagged BRD4 (2 to 1362 residues) expressed in Sf9 cells using histone H4 peptide containin... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.03.014
BindingDB Entry DOI: 10.7270/Q2FT8QMQ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50545912
(CHEMBL4749664)Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(N3CCOC[C@@H]3c3ccccc3)c2c1)-c1cnn(CC(C)(C)O)c1 |r| | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human full-length recombinant N-terminal His-tagged BRD4 (2 to 1362 residues) expressed in Sf9 cells using histone H4 peptide containin... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.03.014
BindingDB Entry DOI: 10.7270/Q2FT8QMQ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM25121
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 | PDB
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Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 (unknown origin) by alpha screen assay |
ACS Med Chem Lett 6: 764-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50545926
(CHEMBL4761149)Show SMILES Cn1cc(ccc1=O)-c1ccc2nc(nc(N3CCOC[C@@H]3c3ccccc3)c2c1)-c1cnn(CC(C)(C)O)c1 |r| | PDB
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| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human full-length recombinant N-terminal His-tagged BRD4 (2 to 1362 residues) expressed in Sf9 cells using histone H4 peptide containin... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.03.014
BindingDB Entry DOI: 10.7270/Q2FT8QMQ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50466296
(CHEMBL4289556)Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(N3CCOCC3c3ccccc3)c2c1)-c1cnn(CCO)c1 Show InChI InChI=1S/C28H28N6O3/c1-18-26(19(2)37-32-18)21-8-9-24-23(14-21)28(31-27(30-24)22-15-29-33(16-22)10-12-35)34-11-13-36-17-25(34)20-6-4-3-5-7-20/h3-9,14-16,25,35H,10-13,17H2,1-2H3 | PDB
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| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human full-length recombinant N-terminal His-tagged BRD4 (2 to 1362 residues) expressed in Sf9 cells using histone H4 peptide containin... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.03.014
BindingDB Entry DOI: 10.7270/Q2FT8QMQ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50545919
(CHEMBL4755310)Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(N3CCOC[C@@H]3C3CC3)c2c1)-c1cnn(CC(C)(C)O)c1 |r| | PDB
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| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human full-length recombinant N-terminal His-tagged BRD4 (2 to 1362 residues) expressed in Sf9 cells using histone H4 peptide containin... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.03.014
BindingDB Entry DOI: 10.7270/Q2FT8QMQ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50545918
(CHEMBL4760190)Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(N3CCN(C[C@@H]3c3ccccc3)S(C)(=O)=O)c2c1)-c1cnn(CC(C)(C)O)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human full-length recombinant N-terminal His-tagged BRD4 (2 to 1362 residues) expressed in Sf9 cells using histone H4 peptide containin... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.03.014
BindingDB Entry DOI: 10.7270/Q2FT8QMQ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50545917
(CHEMBL4759884)Show SMILES CC(=O)N1CCN([C@H](C1)c1ccccc1)c1nc(nc2ccc(cc12)-c1c(C)noc1C)-c1cnn(CC(C)(C)O)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human full-length recombinant N-terminal His-tagged BRD4 (2 to 1362 residues) expressed in Sf9 cells using histone H4 peptide containin... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.03.014
BindingDB Entry DOI: 10.7270/Q2FT8QMQ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50545924
(CHEMBL4759394)Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(N3CCOC[C@@H]3c3ccc(Cl)cc3)c2c1)-c1cnn(CC(C)(C)O)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human full-length recombinant N-terminal His-tagged BRD4 (2 to 1362 residues) expressed in Sf9 cells using histone H4 peptide containin... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.03.014
BindingDB Entry DOI: 10.7270/Q2FT8QMQ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50545931
(CHEMBL4741110)Show SMILES Cn1cc(ccc1=O)-c1ccc2nc(nc(N3CCOC[C@@H]3c3cccs3)c2c1)-c1cnn(CC(C)(C)O)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human full-length recombinant N-terminal His-tagged BRD4 (2 to 1362 residues) expressed in Sf9 cells using histone H4 peptide containin... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.03.014
BindingDB Entry DOI: 10.7270/Q2FT8QMQ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50545925
(CHEMBL4776541)Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(N3CCOC[C@@H]3c3cccs3)c2c1)-c1cnn(CC(C)(C)O)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 364 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human full-length recombinant N-terminal His-tagged BRD4 (2 to 1362 residues) expressed in Sf9 cells using histone H4 peptide containin... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.03.014
BindingDB Entry DOI: 10.7270/Q2FT8QMQ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50613948
(CHEMBL5270456)Show SMILES Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3ccccc3)c2c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]/[42-168]
(Homo sapiens (Human)) | BDBM107635
(US9695179, 1)Show SMILES Clc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccccc3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C24H16ClNO2/c25-18-12-13-20-19(15-18)22(17-9-5-2-6-10-17)23(24(28)26-20)21(27)14-11-16-7-3-1-4-8-16/h1-15H,(H,26,28)/b14-11+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.43E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
ConverGene LLC
US Patent
| Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N... |
US Patent US9695179 (2017)
BindingDB Entry DOI: 10.7270/Q21G0JF6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50613952
(CHEMBL5280039)Show SMILES Cc1noc(C)c1-c1ccc2c(cc(=O)[nH]c2c1)-c1ccccc1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50613951
(CHEMBL5277846)Show SMILES Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(-c3ccccc3)c2c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]/[42-168]
(Homo sapiens (Human)) | BDBM111137
(US9695179, 132)Show SMILES Cc1ccc(cc1)-c1nnc(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)n1N Show InChI InChI=1S/C24H18ClN5OS/c1-14-7-9-16(10-8-14)22-28-29-24(30(22)26)32-21-20(15-5-3-2-4-6-15)18-13-17(25)11-12-19(18)27-23(21)31/h2-13H,26H2,1H3,(H,27,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
ConverGene LLC
US Patent
| Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N... |
US Patent US9695179 (2017)
BindingDB Entry DOI: 10.7270/Q21G0JF6 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50613949
(CHEMBL5276495)Show SMILES Cc1ccc(cc1)-c1nnc(Sc2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)n1N | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]/[42-168]
(Homo sapiens (Human)) | BDBM111102
(US9695179, 97)Show SMILES Clc1ccc2[nH]c(=O)c(Sc3nnc(-c4cccs4)n3CC=C)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C24H17ClN4OS2/c1-2-12-29-22(19-9-6-13-31-19)27-28-24(29)32-21-20(15-7-4-3-5-8-15)17-14-16(25)10-11-18(17)26-23(21)30/h2-11,13-14H,1,12H2,(H,26,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
ConverGene LLC
US Patent
| Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N... |
US Patent US9695179 (2017)
BindingDB Entry DOI: 10.7270/Q21G0JF6 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50545912
(CHEMBL4749664)Show SMILES Cc1noc(C)c1-c1ccc2nc(nc(N3CCOC[C@@H]3c3ccccc3)c2c1)-c1cnn(CC(C)(C)O)c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ERG by manual patch clamp assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.03.014
BindingDB Entry DOI: 10.7270/Q2FT8QMQ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4 [342-460]/[42-168]
(Homo sapiens (Human)) | BDBM111103
(US9695179, 98)Show SMILES COc1ccc(cc1)-c1cc(=O)[nH]c(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)n1 Show InChI InChI=1S/C26H18ClN3O3S/c1-33-18-10-7-15(8-11-18)21-14-22(31)30-26(29-21)34-24-23(16-5-3-2-4-6-16)19-13-17(27)9-12-20(19)28-25(24)32/h2-14H,1H3,(H,28,32)(H,29,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
ConverGene LLC
US Patent
| Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N... |
US Patent US9695179 (2017)
BindingDB Entry DOI: 10.7270/Q21G0JF6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50613948
(CHEMBL5270456)Show SMILES Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3ccccc3)c2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 6.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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