Found 115 hits Enz. Inhib. hit(s) with all data for entry = 50002136 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 |
|---|
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453957
(CHEMBL4217213)Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C28H30F2N6O2/c1-31-28(37)35-9-6-25-24(16-35)26(33-36(25)19-7-10-38-11-8-19)20-5-3-4-17-12-21(18-14-32-34(2)15-18)23(27(29)30)13-22(17)20/h3-5,12-15,19,27H,6-11,16H2,1-2H3,(H,31,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453950
(CHEMBL4203082 | US11247989, Example 88)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1cnn(C)c1 Show InChI InChI=1S/C26H28N6O2/c1-17(33)31-9-6-25-23(16-31)26(29-32(25)20-7-10-34-11-8-20)21-5-3-4-18-12-24(27-14-22(18)21)19-13-28-30(2)15-19/h3-5,12-15,20H,6-11,16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453949
(CHEMBL4208820 | US11247989, Example 87)Show SMILES CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1 Show InChI InChI=1S/C29H30N6O3/c1-18(36)34-11-8-27-24(17-34)28(33-35(27)21-9-12-38-13-10-21)22-5-3-4-19-14-26(32-16-23(19)22)20-6-7-25(31-15-20)29(37)30-2/h3-7,14-16,21H,8-13,17H2,1-2H3,(H,30,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453971
(CHEMBL4204065 | US11247989, Example 11)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1cn(C)nc1C#N Show InChI InChI=1S/C27H27N7O2/c1-17(35)33-9-6-26-23(16-33)27(31-34(26)19-7-10-36-11-8-19)20-5-3-4-18-12-24(29-14-21(18)20)22-15-32(2)30-25(22)13-28/h3-5,12,14-15,19H,6-11,16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453970
(CHEMBL4207965 | US11247989, Example 98)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1cnn(C)c1C(F)F Show InChI InChI=1S/C27H28F2N6O2/c1-16(36)34-9-6-24-22(15-34)25(32-35(24)18-7-10-37-11-8-18)19-5-3-4-17-12-23(30-13-20(17)19)21-14-31-33(2)26(21)27(28)29/h3-5,12-14,18,27H,6-11,15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453948
(CHEMBL4204490 | US11247989, Example 96)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1cnn(C)c1C#N Show InChI InChI=1S/C27H27N7O2/c1-17(35)33-9-6-25-23(16-33)27(31-34(25)19-7-10-36-11-8-19)20-5-3-4-18-12-24(29-14-21(18)20)22-15-30-32(2)26(22)13-28/h3-5,12,14-15,19H,6-11,16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453976
(CHEMBL4209361 | US11247989, Example 97)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1cn(C)nc1C(F)F Show InChI InChI=1S/C27H28F2N6O2/c1-16(36)34-9-6-24-22(15-34)25(32-35(24)18-7-10-37-11-8-18)19-5-3-4-17-12-23(30-13-20(17)19)21-14-33(2)31-26(21)27(28)29/h3-5,12-14,18,27H,6-11,15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453953
(CHEMBL4215166 | US11247989, Example 75)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1ccc(C)c2ccncc12 Show InChI InChI=1S/C23H26N4O2/c1-15-3-4-19(20-13-24-9-5-18(15)20)23-21-14-26(16(2)28)10-6-22(21)27(25-23)17-7-11-29-12-8-17/h3-5,9,13,17H,6-8,10-12,14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453958
(CHEMBL4209359 | US11247989, Example 77)Show SMILES COc1cncc2c(cccc12)-c1nn(C2CCOCC2)c2CCN(Cc12)C(C)=O Show InChI InChI=1S/C23H26N4O3/c1-15(28)26-9-6-21-20(14-26)23(25-27(21)16-7-10-30-11-8-16)18-5-3-4-17-19(18)12-24-13-22(17)29-2/h3-5,12-13,16H,6-11,14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453956
(CHEMBL4214979 | US11247989, Example 7)Show SMILES CCc1cc(-c2nn(C3CCOCC3)c3CCN(Cc23)C(C)=O)c2cnccc2c1 Show InChI InChI=1S/C24H28N4O2/c1-3-17-12-18-4-8-25-14-21(18)20(13-17)24-22-15-27(16(2)29)9-5-23(22)28(26-24)19-6-10-30-11-7-19/h4,8,12-14,19H,3,5-7,9-11,15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453980
(CHEMBL4217552 | US11247989, Example 76)Show SMILES COc1ccc(-c2nn(C3CCOCC3)c3CCN(Cc23)C(C)=O)c2cnccc12 Show InChI InChI=1S/C23H26N4O3/c1-15(28)26-10-6-21-20(14-26)23(25-27(21)16-7-11-30-12-8-16)18-3-4-22(29-2)17-5-9-24-13-19(17)18/h3-5,9,13,16H,6-8,10-12,14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453961
(CHEMBL4218138 | US11247989, Example 144)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2ccncc12 Show InChI InChI=1S/C22H24N4O2/c1-15(27)25-10-6-21-20(14-25)22(24-26(21)17-7-11-28-12-8-17)18-4-2-3-16-5-9-23-13-19(16)18/h2-5,9,13,17H,6-8,10-12,14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453965
(CHEMBL4209747 | US11247989, Example 79)Show SMILES CCc1ccc(-c2nn(C3CCOCC3)c3CCN(Cc23)C(C)=O)c2cnccc12 Show InChI InChI=1S/C24H28N4O2/c1-3-17-4-5-20(21-14-25-10-6-19(17)21)24-22-15-27(16(2)29)11-7-23(22)28(26-24)18-8-12-30-13-9-18/h4-6,10,14,18H,3,7-9,11-13,15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453955
(CHEMBL4207043)Show SMILES CC(=O)N1CCc2c(C1)c(nn2CC1CC1)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C20H22N4O/c1-13(25)23-10-8-19-17(12-23)20(22-24(19)11-14-5-6-14)16-3-2-4-18-15(16)7-9-21-18/h2-4,7,9,14,21H,5-6,8,10-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453964
(CHEMBL4213692 | US11247989, Example 80)Show SMILES CCc1cncc2c(cccc12)-c1nn(C2CCOCC2)c2CCN(Cc12)C(C)=O Show InChI InChI=1S/C24H28N4O2/c1-3-17-13-25-14-21-19(17)5-4-6-20(21)24-22-15-27(16(2)29)10-7-23(22)28(26-24)18-8-11-30-12-9-18/h4-6,13-14,18H,3,7-12,15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453963
(CHEMBL4208936 | US11247989, Example 28)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2c(Cl)cncc12 Show InChI InChI=1S/C22H23ClN4O2/c1-14(28)26-8-5-21-19(13-26)22(25-27(21)15-6-9-29-10-7-15)17-4-2-3-16-18(17)11-24-12-20(16)23/h2-4,11-12,15H,5-10,13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453960
(CHEMBL4207080 | US11247989, Example 57)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C21H24N4O2/c1-14(26)24-9-6-20-18(13-24)21(23-25(20)15-7-10-27-11-8-15)17-12-22-19-5-3-2-4-16(17)19/h2-5,12,15,22H,6-11,13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453974
(CHEMBL4203862 | US11247989, Example 4)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cc(C)cc2ccncc12 Show InChI InChI=1S/C23H26N4O2/c1-15-11-17-3-7-24-13-20(17)19(12-15)23-21-14-26(16(2)28)8-4-22(21)27(25-23)18-5-9-29-10-6-18/h3,7,11-13,18H,4-6,8-10,14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453952
(CHEMBL4214660 | US11247989, Example 81)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1ccc(CO)c2ccncc12 Show InChI InChI=1S/C23H26N4O3/c1-15(29)26-9-5-22-21(13-26)23(25-27(22)17-6-10-30-11-7-17)19-3-2-16(14-28)18-4-8-24-12-20(18)19/h2-4,8,12,17,28H,5-7,9-11,13-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453981
(CHEMBL4215815 | US11247989, Example 5)Show SMILES COc1cc(-c2nn(C3CCOCC3)c3CCN(Cc23)C(C)=O)c2cnccc2c1 Show InChI InChI=1S/C23H26N4O3/c1-15(28)26-8-4-22-21(14-26)23(25-27(22)17-5-9-30-10-6-17)19-12-18(29-2)11-16-3-7-24-13-20(16)19/h3,7,11-13,17H,4-6,8-10,14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453968
(CHEMBL4210701 | US11247989, Example 8)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cc(CO)cc2ccncc12 Show InChI InChI=1S/C23H26N4O3/c1-15(29)26-7-3-22-21(13-26)23(25-27(22)18-4-8-30-9-5-18)19-11-16(14-28)10-17-2-6-24-12-20(17)19/h2,6,10-12,18,28H,3-5,7-9,13-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453954
(CHEMBL4218809 | US11247989, Example 100)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2c[nH]c(=O)cc12 Show InChI InChI=1S/C22H24N4O3/c1-14(27)25-8-5-20-19(13-25)22(24-26(20)16-6-9-29-10-7-16)17-4-2-3-15-12-23-21(28)11-18(15)17/h2-4,11-12,16H,5-10,13H2,1H3,(H,23,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453951
(CHEMBL4204263 | US11247989, Example 99)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2CNC(=O)Cc12 Show InChI InChI=1S/C22H26N4O3/c1-14(27)25-8-5-20-19(13-25)22(24-26(20)16-6-9-29-10-7-16)17-4-2-3-15-12-23-21(28)11-18(15)17/h2-4,16H,5-13H2,1H3,(H,23,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453977
(CHEMBL4210047 | US11247989, Example 82)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2c(CO)cncc12 Show InChI InChI=1S/C23H26N4O3/c1-15(29)26-8-5-22-21(13-26)23(25-27(22)17-6-9-30-10-7-17)19-4-2-3-18-16(14-28)11-24-12-20(18)19/h2-4,11-12,17,28H,5-10,13-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453973
(CHEMBL4214949 | US11247989, Example 74)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1ccc(Cl)c2ccncc12 Show InChI InChI=1S/C22H23ClN4O2/c1-14(28)26-9-5-21-19(13-26)22(25-27(21)15-6-10-29-11-7-15)17-2-3-20(23)16-4-8-24-12-18(16)17/h2-4,8,12,15H,5-7,9-11,13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453962
(CHEMBL4203693 | US11247989, Example 16)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cncc2ccccc12 Show InChI InChI=1S/C22H24N4O2/c1-15(27)25-9-6-21-20(14-25)22(24-26(21)17-7-10-28-11-8-17)19-13-23-12-16-4-2-3-5-18(16)19/h2-5,12-13,17H,6-11,14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453972
(CHEMBL4210763 | US11247989, Example 141)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C21H24N4O2/c1-14(26)24-10-6-20-18(13-24)21(23-25(20)15-7-11-27-12-8-15)17-3-2-4-19-16(17)5-9-22-19/h2-5,9,15,22H,6-8,10-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453959
(CHEMBL4206026 | US11247989, Example 136)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1ccnc2ccccc12 Show InChI InChI=1S/C22H24N4O2/c1-15(27)25-11-7-21-19(14-25)22(24-26(21)16-8-12-28-13-9-16)18-6-10-23-20-5-3-2-4-17(18)20/h2-6,10,16H,7-9,11-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM340513
(US9763922, Example 44)Show InChI InChI=1S/C18H22N4O/c1-13(23)21-10-9-17-16(12-21)18(19-15-5-3-2-4-6-15)20-22(17)11-14-7-8-14/h2-6,14H,7-12H2,1H3,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453967
(CHEMBL4207560)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cc(Cl)cc2ccncc12 Show InChI InChI=1S/C22H23ClN4O2/c1-14(28)26-7-3-21-20(13-26)22(25-27(21)17-4-8-29-9-5-17)18-11-16(23)10-15-2-6-24-12-19(15)18/h2,6,10-12,17H,3-5,7-9,13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453979
(CHEMBL4215949)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2c(cncc12)C#N Show InChI InChI=1S/C23H23N5O2/c1-15(29)27-8-5-22-21(14-27)23(26-28(22)17-6-9-30-10-7-17)19-4-2-3-18-16(11-24)12-25-13-20(18)19/h2-4,12-13,17H,5-10,14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453978
(CHEMBL4202407)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1nccc2ccccc12 Show InChI InChI=1S/C22H24N4O2/c1-15(27)25-11-7-20-19(14-25)22(24-26(20)17-8-12-28-13-9-17)21-18-5-3-2-4-16(18)6-10-23-21/h2-6,10,17H,7-9,11-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453975
(CHEMBL4216533)Show InChI InChI=1S/C18H21N3O/c1-13(22)20-10-9-17-16(12-20)18(15-5-3-2-4-6-15)19-21(17)11-14-7-8-14/h2-6,14H,7-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453966
(CHEMBL4210092)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1ccc(C#N)c2ccncc12 Show InChI InChI=1S/C23H23N5O2/c1-15(29)27-9-5-22-21(14-27)23(26-28(22)17-6-10-30-11-7-17)19-3-2-16(12-24)18-4-8-25-13-20(18)19/h2-4,8,13,17H,5-7,9-11,14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50453969
(CHEMBL4217633)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cc(cc2ccncc12)C#N Show InChI InChI=1S/C23H23N5O2/c1-15(29)27-7-3-22-21(14-27)23(26-28(22)18-4-8-30-9-5-18)19-11-16(12-24)10-17-2-6-25-13-20(17)19/h2,6,10-11,13,18H,3-5,7-9,14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50200385
(CHEMBL3959584)Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50453950
(CHEMBL4203082 | US11247989, Example 88)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1cnn(C)c1 Show InChI InChI=1S/C26H28N6O2/c1-17(33)31-9-6-25-23(16-31)26(29-32(25)20-7-10-34-11-8-20)21-5-3-4-18-12-24(27-14-22(18)21)19-13-28-30(2)15-19/h3-5,12-15,20H,6-11,16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50453976
(CHEMBL4209361 | US11247989, Example 97)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1cn(C)nc1C(F)F Show InChI InChI=1S/C27H28F2N6O2/c1-16(36)34-9-6-24-22(15-34)25(32-35(24)18-7-10-37-11-8-18)19-5-3-4-17-12-23(30-13-20(17)19)21-14-33(2)31-26(21)27(28)29/h3-5,12-14,18,27H,6-11,15H2,1-2H3 | PDB
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| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50453949
(CHEMBL4208820 | US11247989, Example 87)Show SMILES CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1 Show InChI InChI=1S/C29H30N6O3/c1-18(36)34-11-8-27-24(17-34)28(33-35(27)21-9-12-38-13-10-21)22-5-3-4-19-14-26(32-16-23(19)22)20-6-7-25(31-15-20)29(37)30-2/h3-7,14-16,21H,8-13,17H2,1-2H3,(H,30,37) | PDB
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| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50453970
(CHEMBL4207965 | US11247989, Example 98)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1cnn(C)c1C(F)F Show InChI InChI=1S/C27H28F2N6O2/c1-16(36)34-9-6-24-22(15-34)25(32-35(24)18-7-10-37-11-8-18)19-5-3-4-17-12-23(30-13-20(17)19)21-14-31-33(2)26(21)27(28)29/h3-5,12-14,18,27H,6-11,15H2,1-2H3 | PDB
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| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50453971
(CHEMBL4204065 | US11247989, Example 11)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1cn(C)nc1C#N Show InChI InChI=1S/C27H27N7O2/c1-17(35)33-9-6-26-23(16-33)27(31-34(26)19-7-10-36-11-8-19)20-5-3-4-18-12-24(29-14-21(18)20)22-15-32(2)30-25(22)13-28/h3-5,12,14-15,19H,6-11,16H2,1-2H3 | PDB
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| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50453972
(CHEMBL4210763 | US11247989, Example 141)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C21H24N4O2/c1-14(26)24-10-6-20-18(13-24)21(23-25(20)15-7-11-27-12-8-15)17-3-2-4-19-16(17)5-9-22-19/h2-5,9,15,22H,6-8,10-13H2,1H3 | PDB
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| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50453957
(CHEMBL4217213)Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C28H30F2N6O2/c1-31-28(37)35-9-6-25-24(16-35)26(33-36(25)19-7-10-38-11-8-19)20-5-3-4-17-12-21(18-14-32-34(2)15-18)23(27(29)30)13-22(17)20/h3-5,12-15,19,27H,6-11,16H2,1-2H3,(H,31,37) | PDB
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| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50453948
(CHEMBL4204490 | US11247989, Example 96)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1cccc2cc(ncc12)-c1cnn(C)c1C#N Show InChI InChI=1S/C27H27N7O2/c1-17(35)33-9-6-25-23(16-33)27(31-34(25)19-7-10-36-11-8-19)20-5-3-4-18-12-24(29-14-21(18)20)22-15-30-32(2)26(22)13-28/h3-5,12,14-15,19H,6-11,16H2,1-2H3 | PDB
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| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50453953
(CHEMBL4215166 | US11247989, Example 75)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1ccc(C)c2ccncc12 Show InChI InChI=1S/C23H26N4O2/c1-15-3-4-19(20-13-24-9-5-18(15)20)23-21-14-26(16(2)28)10-6-22(21)27(25-23)17-7-11-29-12-8-17/h3-5,9,13,17H,6-8,10-12,14H2,1-2H3 | PDB
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| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50453956
(CHEMBL4214979 | US11247989, Example 7)Show SMILES CCc1cc(-c2nn(C3CCOCC3)c3CCN(Cc23)C(C)=O)c2cnccc2c1 Show InChI InChI=1S/C24H28N4O2/c1-3-17-12-18-4-8-25-14-21(18)20(13-17)24-22-15-27(16(2)29)9-5-23(22)28(26-24)19-6-10-30-11-7-19/h4,8,12-14,19H,3,5-7,9-11,15H2,1-2H3 | PDB
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| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50453965
(CHEMBL4209747 | US11247989, Example 79)Show SMILES CCc1ccc(-c2nn(C3CCOCC3)c3CCN(Cc23)C(C)=O)c2cnccc12 Show InChI InChI=1S/C24H28N4O2/c1-3-17-4-5-20(21-14-25-10-6-19(17)21)24-22-15-27(16(2)29)11-7-23(22)28(26-24)18-8-12-30-13-9-18/h4-6,10,14,18H,3,7-9,11-13,15H2,1-2H3 | PDB
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| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50453981
(CHEMBL4215815 | US11247989, Example 5)Show SMILES COc1cc(-c2nn(C3CCOCC3)c3CCN(Cc23)C(C)=O)c2cnccc2c1 Show InChI InChI=1S/C23H26N4O3/c1-15(28)26-8-4-22-21(14-26)23(25-27(22)17-5-9-30-10-6-17)19-12-18(29-2)11-16-3-7-24-13-20(16)19/h3,7,11-13,17H,4-6,8-10,14H2,1-2H3 | PDB
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| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50453960
(CHEMBL4207080 | US11247989, Example 57)Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C21H24N4O2/c1-14(26)24-9-6-20-18(13-24)21(23-25(20)15-7-10-27-11-8-15)17-12-22-19-5-3-2-4-16(17)19/h2-5,12,15,22H,6-11,13H2,1H3 | PDB
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| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50453980
(CHEMBL4217552 | US11247989, Example 76)Show SMILES COc1ccc(-c2nn(C3CCOCC3)c3CCN(Cc23)C(C)=O)c2cnccc12 Show InChI InChI=1S/C23H26N4O3/c1-15(28)26-10-6-21-20(14-26)23(25-27(21)16-7-11-30-12-8-16)18-3-4-22(29-2)17-5-9-24-13-19(17)18/h3-5,9,13,16H,6-8,10-12,14H2,1-2H3 | PDB
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| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
WuXi AppTec Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
Bioorg Med Chem Lett 28: 15-23 (2018)
Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ |
More data for this
Ligand-Target Pair | |
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