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BDBM188516 BDOIA383

SMILES: COc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1

InChI Key: InChIKey=RQFUKBAHMUVXDA-UHFFFAOYSA-N

Data: 4 IC50 2 Kd

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 188516
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
CREB-binding protein (Homo sapiens (Human))	BDBM188516 (BDOIA383) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The assay used His-tagged CBP protein, biotinylated histone H4, and detection reagents europium-labeled streptavidin and anti-6His antibody labeled w...				Chem Biol 22: 1588-96 (2015) Article DOI: 10.1016/j.chembiol.2015.10.013 BindingDB Entry DOI: 10.7270/Q2V69HC0
Pfizer					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM188516 (BDOIA383) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The assay used a Cy5 dye-labeled BRD inhibitor PFI-411FP. The synthesis of the probe and the procedure for the assay was reported recently (Hett et a...				Chem Biol 22: 1588-96 (2015) Article DOI: 10.1016/j.chembiol.2015.10.013 BindingDB Entry DOI: 10.7270/Q2V69HC0
Pfizer					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM188516 (BDOIA383) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CREBBP (unknown origin) by FRET assay				J Med Chem 60: 5349-5363 (2017) Article DOI: 10.1021/acs.jmedchem.6b01839 BindingDB Entry DOI: 10.7270/Q2B85BCF
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM188516 (BDOIA383) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Experiments were performed using recombinant CBP and BRD4 bromodomainsusing the procedure reported recently (Hett et al., 2015).				Chem Biol 22: 1588-96 (2015) Article DOI: 10.1016/j.chembiol.2015.10.013 BindingDB Entry DOI: 10.7270/Q2V69HC0
Pfizer					More data for this Ligand-Target Pair				3D Structure (crystal)
BRD4/HDAC1 (Homo sapiens (Human))	BDBM188516 (BDOIA383) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by fluorescence polarization assay				J Med Chem 60: 5349-5363 (2017) Article DOI: 10.1021/acs.jmedchem.6b01839 BindingDB Entry DOI: 10.7270/Q2B85BCF
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM188516 (BDOIA383) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Experiments were performed using recombinant CBP and BRD4 bromodomainsusing the procedure reported recently (Hett et al., 2015).				Chem Biol 22: 1588-96 (2015) Article DOI: 10.1016/j.chembiol.2015.10.013 BindingDB Entry DOI: 10.7270/Q2V69HC0
Pfizer					More data for this Ligand-Target Pair				3D Structure (crystal)