BindingDB PrimarySearch

null

SMILES: COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50587251
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 3 (Homo sapiens (Human))	BDBM50587251 (CHEMBL5080049) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human BRD3 domain 1 assessed as dissociation constant by isothermal titration calorimetry assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01119 BindingDB Entry DOI: 10.7270/Q29Z98S3
TBA					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50587251 (CHEMBL5080049) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human BRD2 domain 2 assessed as dissociation constant by isothermal titration calorimetry assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01119 BindingDB Entry DOI: 10.7270/Q29Z98S3
TBA					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50587251 (CHEMBL5080049) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human BRD2 domain 1 assessed as dissociation constant by isothermal titration calorimetry assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01119 BindingDB Entry DOI: 10.7270/Q29Z98S3
TBA					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50587251 (CHEMBL5080049) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human BRD4 domain 1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01119 BindingDB Entry DOI: 10.7270/Q29Z98S3
TBA					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50587251 (CHEMBL5080049) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC3 assessed as target activity using fluorogenic substrate ZMAL for 90 min by microplate reader at 355nm				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01119 BindingDB Entry DOI: 10.7270/Q29Z98S3
TBA					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50587251 (CHEMBL5080049) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC1 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01119 BindingDB Entry DOI: 10.7270/Q29Z98S3
TBA					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50587251 (CHEMBL5080049) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.75E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human BRD3 domain 2 assessed as dissociation constant by isothermal titration calorimetry assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01119 BindingDB Entry DOI: 10.7270/Q29Z98S3
TBA					More data for this Ligand-Target Pair
Bromodomain-containing protein 7 (Homo sapiens (Human))	BDBM50587251 (CHEMBL5080049) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human BRD7 assessed as dissociation constant by isothermal titration calorimetry assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01119 BindingDB Entry DOI: 10.7270/Q29Z98S3
TBA					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50587251 (CHEMBL5080049) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	208	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC2 assessed as target activity using fluorogenic substrate ZMAL for 90 min by microplate reader at 355nm				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01119 BindingDB Entry DOI: 10.7270/Q29Z98S3
TBA					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50587251 (CHEMBL5080049) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC6 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01119 BindingDB Entry DOI: 10.7270/Q29Z98S3
TBA					More data for this Ligand-Target Pair