BindingDB PrimarySearch

null

SMILES: CC(=O)c1cc(-c2cc(ccc2C)C(=O)NC2CC2)c2ncccn12

InChI Key: InChIKey=RPBMXJHQYJLPDN-UHFFFAOYSA-N

PDB links: 4 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50266968
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))	BDBM50266968 (CHEMBL4065619) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Binding affinity to BRD9 (unknown origin) by isothermal titration calorimetry				J Med Chem 60: 157-169 (2017) Article DOI: 10.1021/acs.jmedchem.6b00923 BindingDB Entry DOI: 10.7270/Q2TM7DMZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 7 (Homo sapiens (Human))	BDBM50266968 (CHEMBL4065619) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Binding affinity to BRD7 (unknown origin) by isothermal titration calorimetry				J Med Chem 60: 157-169 (2017) Article DOI: 10.1021/acs.jmedchem.6b00923 BindingDB Entry DOI: 10.7270/Q2TM7DMZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 7 (Homo sapiens (Human))	BDBM50266968 (CHEMBL4065619) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	556	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged BRD7 (129 to 250 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ...				J Med Chem 63: 3227-3237 (2020) Article DOI: 10.1021/acs.jmedchem.9b01980
Moffitt Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50266968 (CHEMBL4065619) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars		n/a	n/a	n/a	>990	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50266968 (CHEMBL4065619) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged BRD9 (134 to 239 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ...				J Med Chem 63: 3227-3237 (2020) Article DOI: 10.1021/acs.jmedchem.9b01980
Moffitt Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 7 (Homo sapiens (Human))	BDBM50266968 (CHEMBL4065619) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to BRD7 (unknown origin)				J Med Chem 63: 5816-5840 (2020)
GlaxoSmithKline R&D Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50266968 (CHEMBL4065619) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to BRD9 (unknown origin)				J Med Chem 63: 5816-5840 (2020)
GlaxoSmithKline R&D Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50266968 (CHEMBL4065619) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Binding affinity to BRD4 BD1 (unknown origin) assessed as dissociation constant by SYPRO orange dye based differential scanning fluorimetry				J Med Chem 63: 3227-3237 (2020) Article DOI: 10.1021/acs.jmedchem.9b01980
Moffitt Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair