BindingDB PrimarySearch

BDBM50178219 CHEMBL3814752

SMILES: C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1

InChI Key: InChIKey=BFTKDWYIRJGJCA-CYBMUJFWSA-N

Data: 9 IC50 1 Kd 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50178219
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	730	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 BRD9 (unknown origin) incubated for 10 mins by TR-FRET assay				ACS Med Chem Lett 7: 531-6 (2016) BindingDB Entry DOI: 10.7270/Q20G3N3S
Constellation Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Cat eye syndrome critical region protein 2 (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	7.70E+3	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 CECR2 (unknown origin) incubated for 10 mins by TR-FRET assay				ACS Med Chem Lett 7: 531-6 (2016) BindingDB Entry DOI: 10.7270/Q20G3N3S
Constellation Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human CBP at 17 uM by isothermal titration calorimetry				ACS Med Chem Lett 7: 531-6 (2016) BindingDB Entry DOI: 10.7270/Q20G3N3S
Constellation Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	51	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 EP300 (unknown origin) incubated for 10 mins by TR-FRET assay				ACS Med Chem Lett 7: 531-6 (2016) BindingDB Entry DOI: 10.7270/Q20G3N3S
Constellation Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	n/a	300	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) BindingDB Entry DOI: 10.7270/Q20G3N3S
Constellation Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human BRD9 (R130 to V259) expressed in bacterial cells by BromoScan assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	30	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) BindingDB Entry DOI: 10.7270/Q20G3N3S
Constellation Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Cat eye syndrome critical region protein 2 (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CECR2 (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.10E+4	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 BRD4 bromodomain-1 (unknown origin) incubated for 10 mins by TR-FRET assay				ACS Med Chem Lett 7: 531-6 (2016) BindingDB Entry DOI: 10.7270/Q20G3N3S
Constellation Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair