Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'CREB-binding protein' and Ligand = 'BDBM50178163'   

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))	BDBM50178163 (CHEMBL3813846 | US10206931, Example 286) Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3cccc(OCc4ccccc4)c3)c2N1 |r| Show InChI InChI=1S/C23H22N2O2/c1-16-13-22(26)25-21-12-6-11-20(23(21)24-16)18-9-5-10-19(14-18)27-15-17-7-3-2-4-8-17/h2-12,14,16,24H,13,15H2,1H3,(H,25,26)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC. US Patent					Assay Description His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...				US Patent US10206931 (2019) BindingDB Entry DOI: 10.7270/Q2GM89FR
					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50178163 (CHEMBL3813846 | US10206931, Example 286) Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3cccc(OCc4ccccc4)c3)c2N1 |r| Show InChI InChI=1S/C23H22N2O2/c1-16-13-22(26)25-21-12-6-11-20(23(21)24-16)18-9-5-10-19(14-18)27-15-17-7-3-2-4-8-17/h2-12,14,16,24H,13,15H2,1H3,(H,25,26)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay				ACS Med Chem Lett 7: 531-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00075 BindingDB Entry DOI: 10.7270/Q20G3N3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50178163 (CHEMBL3813846 | US10206931, Example 286) Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3cccc(OCc4ccccc4)c3)c2N1 |r| Show InChI InChI=1S/C23H22N2O2/c1-16-13-22(26)25-21-12-6-11-20(23(21)24-16)18-9-5-10-19(14-18)27-15-17-7-3-2-4-8-17/h2-12,14,16,24H,13,15H2,1H3,(H,25,26)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Halo-tagged histone H3.3 binding to CBP (unknown origin) expressed in HEK293 cells after overnight incubation by luciferase reporter ge...				ACS Med Chem Lett 7: 531-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00075 BindingDB Entry DOI: 10.7270/Q20G3N3S
					More data for this Ligand-Target Pair				3D Structure (crystal)