Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50047511 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Bromodomain adjacent to zinc finger domain protein 2B
(Homo sapiens (Human)) | BDBM50148270
(CHEMBL3739699)Show SMILES CCCOc1ccn2c(cc(-c3ccccc3S(C)(=O)=O)c2c1)C(C)=O Show InChI InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-21-18(14(2)22)13-17(19(21)12-15)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to His-tagged BRAZ2B (unknown origin) expressed in Escherichia coli BL21(DE3) cells by AlphaScreen assay in presence of ... |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Bromodomain adjacent to zinc finger domain protein 2B
(Homo sapiens (Human)) | BDBM50172133
(CHEMBL3809185)Show SMILES CCCOc1ccc2n(cc(-c3ccccc3S(C)(=O)=O)c2c1)C(C)=O Show InChI InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-19-17(12-15)18(13-21(19)14(2)22)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to His-tagged BRAZ2B (unknown origin) expressed in Escherichia coli BL21(DE3) cells by AlphaScreen assay in presence of ... |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair | |
Bromodomain adjacent to zinc finger domain protein 2B
(Homo sapiens (Human)) | BDBM50172116
(CHEMBL3809983)Show SMILES CC(=O)n1cc(N(C(=O)c2cccc(c2)C(F)(F)F)c2cc(O)ccc2C)c2ccccc12 Show InChI InChI=1S/C25H19F3N2O3/c1-15-10-11-19(32)13-22(15)30(24(33)17-6-5-7-18(12-17)25(26,27)28)23-14-29(16(2)31)21-9-4-3-8-20(21)23/h3-14,32H,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to His-tagged BRAZ2B (unknown origin) expressed in Escherichia coli BL21(DE3) cells by AlphaScreen assay in presence of ... |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50172111
(CHEMBL3808729)Show SMILES CC(=O)n1cc(-c2c(C)n([nH]c2=O)C(=O)N2CCOCC2)c2ccccc12 |(1.43,-3.62,;2.25,-2.7,;3.45,-2.95,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.24,2.7,;3.73,3.05,;4.66,2.25,;3.83,4.59,;2.41,5.17,;1.41,3.99,;.18,4.07,;5.14,5.41,;6.23,4.83,;5.09,6.95,;6.39,7.77,;6.33,9.31,;4.97,10.03,;3.67,9.21,;3.72,7.67,;.3,.77,;-1.03,1.56,;-2.38,.77,;-2.38,-.77,;-1.03,-1.56,;.3,-.77,)| Show InChI InChI=1S/C19H20N4O4/c1-12-17(15-11-22(13(2)24)16-6-4-3-5-14(15)16)18(25)20-23(12)19(26)21-7-9-27-10-8-21/h3-6,11H,7-10H2,1-2H3,(H,20,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROMOscan assay |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50172112
(CHEMBL3809834)Show SMILES CC(=O)n1cc(-c2c(C)nn3CCOc23)c2ccccc12 |(1.43,-3.63,;2.25,-2.7,;3.46,-2.95,;1.77,-1.24,;2.67,.02,;1.77,1.24,;2.24,2.71,;3.72,3.06,;4.66,2.25,;3.84,4.61,;2.39,5.19,;1.61,6.51,;.09,6.12,;0,4.59,;1.42,4.01,;.3,.77,;-1.03,1.56,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,)| Show InChI InChI=1S/C16H15N3O2/c1-10-15(16-19(17-10)7-8-21-16)13-9-18(11(2)20)14-6-4-3-5-12(13)14/h3-6,9H,7-8H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROMOscan assay |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50172113
(CHEMBL3809636)Show SMILES CCCOc1ccc2n(cc(-c3c(C)n([nH]c3=O)C(=O)c3ccc(OC)cc3)c2c1)C(C)=O |(-5.07,5.07,;-5.06,3.84,;-3.72,3.07,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.72,3.05,;4.66,2.25,;3.83,4.58,;2.4,5.16,;1.41,3.98,;.18,4.06,;5.13,5.4,;6.22,4.82,;5.08,6.94,;6.38,7.76,;6.33,9.3,;4.97,10.02,;4.9,11.56,;3.81,12.13,;3.66,9.2,;3.72,7.66,;.3,.77,;-1.03,1.55,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,)| Show InChI InChI=1S/C25H25N3O5/c1-5-12-33-19-10-11-22-20(13-19)21(14-27(22)16(3)29)23-15(2)28(26-24(23)30)25(31)17-6-8-18(32-4)9-7-17/h6-11,13-14H,5,12H2,1-4H3,(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROMOscan assay |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50172107
(CHEMBL3810303)Show SMILES CC(=O)n1cc(-c2c(C)[nH][nH]c2=O)c2ccccc12 |(1.43,-3.63,;2.25,-2.7,;3.46,-2.95,;1.77,-1.24,;2.67,.02,;1.77,1.24,;2.24,2.71,;3.73,3.06,;4.67,2.25,;3.84,4.6,;2.41,5.18,;1.42,4,;.18,4.08,;.3,.77,;-1.03,1.56,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,)| Show InChI InChI=1S/C14H13N3O2/c1-8-13(14(19)16-15-8)11-7-17(9(2)18)12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H2,15,16,19) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to BRD9 bromodomain (unknown origin) measured after 1 hr by BROMOscan assay |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50172109
(CHEMBL3809575)Show SMILES CC(=O)n1cc(-c2c(C)n(C(=O)CCc3ccccc3)n(C(=O)CCc3ccccc3)c2=O)c2ccccc12 |(1.42,-3.62,;2.24,-2.7,;3.45,-2.94,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.72,3.05,;4.66,2.25,;3.83,4.58,;5.14,5.39,;5.1,6.63,;6.5,4.67,;7.81,5.48,;9.16,4.75,;10.47,5.56,;11.83,4.83,;11.88,3.29,;10.57,2.48,;9.21,3.21,;2.4,5.16,;2.04,6.66,;.85,7,;3.15,7.72,;2.78,9.22,;3.89,10.29,;3.52,11.78,;4.64,12.85,;6.12,12.42,;6.48,10.92,;5.37,9.86,;1.41,3.98,;.18,4.06,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C32H29N3O4/c1-22-31(27-21-33(23(2)36)28-16-10-9-15-26(27)28)32(39)35(30(38)20-18-25-13-7-4-8-14-25)34(22)29(37)19-17-24-11-5-3-6-12-24/h3-16,21H,17-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to BRD9 bromodomain (unknown origin) measured after 1 hr by BROMOscan assay |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50172110
(CHEMBL3809876)Show SMILES COc1ccc(cc1)C(=O)n1[nH]c(=O)c(c1C)-c1cn(C(C)=O)c2ccccc12 |(3.81,12.13,;4.9,11.56,;4.97,10.02,;6.33,9.3,;6.38,7.76,;5.08,6.94,;3.72,7.66,;3.66,9.2,;5.13,5.4,;6.22,4.82,;3.83,4.58,;2.4,5.16,;1.41,3.98,;.18,4.06,;2.23,2.7,;3.72,3.05,;4.66,2.25,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,)| Show InChI InChI=1S/C22H19N3O4/c1-13-20(18-12-24(14(2)26)19-7-5-4-6-17(18)19)21(27)23-25(13)22(28)15-8-10-16(29-3)11-9-15/h4-12H,1-3H3,(H,23,27) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to BRD9 bromodomain (unknown origin) measured after 1 hr by BROMOscan assay |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50172113
(CHEMBL3809636)Show SMILES CCCOc1ccc2n(cc(-c3c(C)n([nH]c3=O)C(=O)c3ccc(OC)cc3)c2c1)C(C)=O |(-5.07,5.07,;-5.06,3.84,;-3.72,3.07,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.72,3.05,;4.66,2.25,;3.83,4.58,;2.4,5.16,;1.41,3.98,;.18,4.06,;5.13,5.4,;6.22,4.82,;5.08,6.94,;6.38,7.76,;6.33,9.3,;4.97,10.02,;4.9,11.56,;3.81,12.13,;3.66,9.2,;3.72,7.66,;.3,.77,;-1.03,1.55,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,)| Show InChI InChI=1S/C25H25N3O5/c1-5-12-33-19-10-11-22-20(13-19)21(14-27(22)16(3)29)23-15(2)28(26-24(23)30)25(31)17-6-8-18(32-4)9-7-17/h6-11,13-14H,5,12H2,1-4H3,(H,26,30) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to BRD9 bromodomain (unknown origin) measured after 1 hr by BROMOscan assay |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50172107
(CHEMBL3810303)Show SMILES CC(=O)n1cc(-c2c(C)[nH][nH]c2=O)c2ccccc12 |(1.43,-3.63,;2.25,-2.7,;3.46,-2.95,;1.77,-1.24,;2.67,.02,;1.77,1.24,;2.24,2.71,;3.73,3.06,;4.67,2.25,;3.84,4.6,;2.41,5.18,;1.42,4,;.18,4.08,;.3,.77,;-1.03,1.56,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,)| Show InChI InChI=1S/C14H13N3O2/c1-8-13(14(19)16-15-8)11-7-17(9(2)18)12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H2,15,16,19) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to human His-tagged BRPF1b (626 to 740 residues) expressed in T7 phage-infected Escherichia coli BL21(DE3) cells measure... |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50172107
(CHEMBL3810303)Show SMILES CC(=O)n1cc(-c2c(C)[nH][nH]c2=O)c2ccccc12 |(1.43,-3.63,;2.25,-2.7,;3.46,-2.95,;1.77,-1.24,;2.67,.02,;1.77,1.24,;2.24,2.71,;3.73,3.06,;4.67,2.25,;3.84,4.6,;2.41,5.18,;1.42,4,;.18,4.08,;.3,.77,;-1.03,1.56,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,)| Show InChI InChI=1S/C14H13N3O2/c1-8-13(14(19)16-15-8)11-7-17(9(2)18)12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H2,15,16,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to human His-tagged CREBBP (1081 to 1097 residues) expressed in T7 phage-infected Escherichia coli BL21(DE3) cells measu... |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain adjacent to zinc finger domain protein 2B
(Homo sapiens (Human)) | BDBM71168
(2-chloranyl-N-(1-ethanoylindol-3-yl)-N-phenyl-etha...)Show InChI InChI=1S/C18H15ClN2O2/c1-13(22)20-12-17(15-9-5-6-10-16(15)20)21(18(23)11-19)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to human His-tagged BRAZ2B (1858 to 1972 residues) expressed in T7 phage-infected Escherichia coli BL21(DE3) cells measu... |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair | |
Bromodomain adjacent to zinc finger domain protein 2B
(Homo sapiens (Human)) | BDBM50172114
(CHEMBL3808440)Show SMILES COc1ccc(C)c(c1)N(C(=O)c1cccc(c1)C(F)(F)F)c1cn(C(C)=O)c2ccccc12 Show InChI InChI=1S/C26H21F3N2O3/c1-16-11-12-20(34-3)14-23(16)31(25(33)18-7-6-8-19(13-18)26(27,28)29)24-15-30(17(2)32)22-10-5-4-9-21(22)24/h4-15H,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.40E+5 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to human His-tagged BRAZ2B (1858 to 1972 residues) expressed in T7 phage-infected Escherichia coli BL21(DE3) cells measu... |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair | |
Bromodomain adjacent to zinc finger domain protein 2B
(Homo sapiens (Human)) | BDBM50172115
(CHEMBL3810055)Show InChI InChI=1S/C19H18N2O3/c1-12-8-9-15(24)10-18(12)21(14(3)23)19-11-20(13(2)22)17-7-5-4-6-16(17)19/h4-11,24H,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to human His-tagged BRAZ2B (1858 to 1972 residues) expressed in T7 phage-infected Escherichia coli BL21(DE3) cells measu... |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain adjacent to zinc finger domain protein 2B
(Homo sapiens (Human)) | BDBM50172116
(CHEMBL3809983)Show SMILES CC(=O)n1cc(N(C(=O)c2cccc(c2)C(F)(F)F)c2cc(O)ccc2C)c2ccccc12 Show InChI InChI=1S/C25H19F3N2O3/c1-15-10-11-19(32)13-22(15)30(24(33)17-6-5-7-18(12-17)25(26,27)28)23-14-29(16(2)31)21-9-4-3-8-20(21)23/h3-14,32H,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to human His-tagged BRAZ2B (1858 to 1972 residues) expressed in T7 phage-infected Escherichia coli BL21(DE3) cells measu... |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50172110
(CHEMBL3809876)Show SMILES COc1ccc(cc1)C(=O)n1[nH]c(=O)c(c1C)-c1cn(C(C)=O)c2ccccc12 |(3.81,12.13,;4.9,11.56,;4.97,10.02,;6.33,9.3,;6.38,7.76,;5.08,6.94,;3.72,7.66,;3.66,9.2,;5.13,5.4,;6.22,4.82,;3.83,4.58,;2.4,5.16,;1.41,3.98,;.18,4.06,;2.23,2.7,;3.72,3.05,;4.66,2.25,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,)| Show InChI InChI=1S/C22H19N3O4/c1-13-20(18-12-24(14(2)26)19-7-5-4-6-17(18)19)21(27)23-25(13)22(28)15-8-10-16(29-3)11-9-15/h4-12H,1-3H3,(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROMOscan assay |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50172109
(CHEMBL3809575)Show SMILES CC(=O)n1cc(-c2c(C)n(C(=O)CCc3ccccc3)n(C(=O)CCc3ccccc3)c2=O)c2ccccc12 |(1.42,-3.62,;2.24,-2.7,;3.45,-2.94,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.72,3.05,;4.66,2.25,;3.83,4.58,;5.14,5.39,;5.1,6.63,;6.5,4.67,;7.81,5.48,;9.16,4.75,;10.47,5.56,;11.83,4.83,;11.88,3.29,;10.57,2.48,;9.21,3.21,;2.4,5.16,;2.04,6.66,;.85,7,;3.15,7.72,;2.78,9.22,;3.89,10.29,;3.52,11.78,;4.64,12.85,;6.12,12.42,;6.48,10.92,;5.37,9.86,;1.41,3.98,;.18,4.06,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C32H29N3O4/c1-22-31(27-21-33(23(2)36)28-16-10-9-15-26(27)28)32(39)35(30(38)20-18-25-13-7-4-8-14-25)34(22)29(37)19-17-24-11-5-3-6-12-24/h3-16,21H,17-20H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROMOscan assay |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50172107
(CHEMBL3810303)Show SMILES CC(=O)n1cc(-c2c(C)[nH][nH]c2=O)c2ccccc12 |(1.43,-3.63,;2.25,-2.7,;3.46,-2.95,;1.77,-1.24,;2.67,.02,;1.77,1.24,;2.24,2.71,;3.73,3.06,;4.67,2.25,;3.84,4.6,;2.41,5.18,;1.42,4,;.18,4.08,;.3,.77,;-1.03,1.56,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,)| Show InChI InChI=1S/C14H13N3O2/c1-8-13(14(19)16-15-8)11-7-17(9(2)18)12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H2,15,16,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROMOscan assay |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50172108
(CHEMBL3809158)Show SMILES CC(=O)n1cc(-c2c(C)n(n(c2=O)S(C)(=O)=O)S(C)(=O)=O)c2ccccc12 |(1.43,-3.63,;2.25,-2.7,;3.46,-2.95,;1.77,-1.24,;2.67,.02,;1.77,1.24,;2.24,2.71,;3.73,3.06,;4.67,2.25,;3.84,4.6,;2.41,5.18,;1.42,4,;.18,4.08,;2.04,6.68,;1.74,7.88,;.85,7.02,;2.93,7.53,;5.15,5.42,;6.2,6.07,;5.11,6.65,;6.24,4.83,;.3,.77,;-1.03,1.56,;-2.39,.77,;-2.39,-.77,;-1.03,-1.56,;.3,-.77,)| Show InChI InChI=1S/C16H17N3O6S2/c1-10-15(16(21)19(27(4,24)25)18(10)26(3,22)23)13-9-17(11(2)20)14-8-6-5-7-12(13)14/h5-9H,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a |
University of Z£rich
Curated by ChEMBL
| Assay Description
Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROMOscan assay |
J Med Chem 59: 3087-97 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01757
BindingDB Entry DOI: 10.7270/Q2MP556R |
More data for this
Ligand-Target Pair | |
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