Found 11 hits Enz. Inhib. hit(s) with Target = 'CREB-binding protein' and Ligand = 'BDBM50151661' 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)) | BDBM50151661
(CHEMBL3752296)Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r| Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1 | 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 | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CREBBP |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00348 BindingDB Entry DOI: 10.7270/Q2RF5ZW2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50151661
(CHEMBL3752296)Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r| Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1 | 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 | 323 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of CBP (unknown origin) by alphascreen assay |
J Med Chem 59: 1271-98 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01514 BindingDB Entry DOI: 10.7270/Q2X92D6H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50151661
(CHEMBL3752296)Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r| Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1 | 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 | 323 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CBP (unknown origin) by AlphaScreen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02232 BindingDB Entry DOI: 10.7270/Q2NS0ZQF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50151661
(CHEMBL3752296)Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r| Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1 | 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 | 323 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CREBBP (unknown origin) by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00348 BindingDB Entry DOI: 10.7270/Q2RF5ZW2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50151661
(CHEMBL3752296)Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r| Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1 | 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 | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Displacement of biotinylated ligand from CBP (unknown origin) by TR-FRET assay |
J Med Chem 59: 10549-10563 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01022 BindingDB Entry DOI: 10.7270/Q27083DF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50151661
(CHEMBL3752296)Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r| Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of Halo-tagged histone H3.3 binding to NanoLuc luciferase conjugated CBP (unknown origin) expressed in HEK293 cells after overnight incuba... |
J Med Chem 59: 10549-10563 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01022 BindingDB Entry DOI: 10.7270/Q27083DF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50151661
(CHEMBL3752296)Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r| Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1 | 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 | 390 | n/a | n/a | n/a | n/a | n/a |
University of Freiburg
Curated by ChEMBL
| Assay Description Inhibition of human His6-tagged CREBBP expressed in competent Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry |
J Med Chem 59: 1249-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01502 BindingDB Entry DOI: 10.7270/Q2DV1MRN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50151661
(CHEMBL3752296)Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r| Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1 | 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 | 0.390 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to CREBBP (unknown origin) assessed as dissociation constant by ITC assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00348 BindingDB Entry DOI: 10.7270/Q2RF5ZW2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50151661
(CHEMBL3752296)Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r| Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1 | 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 | 353 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human CREBBP bromodomain expressed in Escherichia coli BL21 (DE3)-RIL assessed as dissociation constant by ITC assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00348 BindingDB Entry DOI: 10.7270/Q2RF5ZW2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50151661
(CHEMBL3752296)Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r| Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1 | 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 | 316 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human CREBBP bromodomain expressed in Escherichia coli BL21 (DE3)-RIL |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00348 BindingDB Entry DOI: 10.7270/Q2RF5ZW2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50151661
(CHEMBL3752296)Show SMILES COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c2c1 |r| Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1 | 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 | 390 | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Binding affinity to CBP (unknown origin) by isothermal titration calorimetric analysis |
J Med Chem 59: 1271-98 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01514 BindingDB Entry DOI: 10.7270/Q2X92D6H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |