BindingDB PrimarySearch

BDBM205429 (R)-JQ1 (3)::US10407441, Compound (R)-JQ1::US10925881, Name (R)-JQ1::US9320741, (R)-JQ1

SMILES: Cc1nnc2[C@@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1

InChI Key: InChIKey=DNVXATUJJDPFDM-QGZVFWFLSA-N

Data: 8 IC50 16 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 205429
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
BET bromodomain 2(1) (BRD2(1)) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute					Assay Description Refer to DiscoverX				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
Dana-Farber Cancer Institute					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (aa 348-455) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a
St. Jude Children''s Research Hospital US Patent					Assay Description Binding of compounds to BRD2 was monitored using an ITC200 (Microcal, Piscataway, N.J.). Either Brd2.1 (74-194) or Brd2.2 (348-455) was dialyzed over...				US Patent US11028051 (2021)
St. Jude Children''s Research Hospital US Patent					More data for this Ligand-Target Pair
BET bromodomain 2(1,2) (BRD2(1,2)) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute					Assay Description Refer to DiscoverX				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
Dana-Farber Cancer Institute					More data for this Ligand-Target Pair
BET bromodomain 3(1) (BRD3(1)) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute					Assay Description Refer to DiscoverX				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
Dana-Farber Cancer Institute					More data for this Ligand-Target Pair
BET bromodomain 3(2) (BRD3(2)) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute					Assay Description Refer to DiscoverX				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
Dana-Farber Cancer Institute					More data for this Ligand-Target Pair
BET bromodomain 3(1,2) (BRD3(1,2)) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute					Assay Description Refer to DiscoverX				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
Dana-Farber Cancer Institute					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4) (aa 44-168) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute					Assay Description Refer to DiscoverX				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
Dana-Farber Cancer Institute					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute					Assay Description Refer to DiscoverX				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
Dana-Farber Cancer Institute					More data for this Ligand-Target Pair
BET bromodomain 4(1,2) (BRD4(1,2)) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute					Assay Description Refer to DiscoverX				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
Dana-Farber Cancer Institute					More data for this Ligand-Target Pair
BET bromodomain 4 (BRD4) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute					Assay Description Refer to DiscoverX				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
Dana-Farber Cancer Institute					More data for this Ligand-Target Pair
Bromodomain testis 1 (BRDT(1)) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute					Assay Description Refer to DiscoverX				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
Dana-Farber Cancer Institute					More data for this Ligand-Target Pair
Bromodomain testis 2 (BRDT(2)) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute					Assay Description Refer to DiscoverX				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
Dana-Farber Cancer Institute					More data for this Ligand-Target Pair
Bromodomain testis (1, 2) (BRDT(1,2)) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute					Assay Description Refer to DiscoverX				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
Dana-Farber Cancer Institute					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4) (aa 44-168) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
Dana-Farber Cancer Institute					More data for this Ligand-Target Pair
BET bromodomain 4 (BRD4) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.76E+3	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
Dana-Farber Cancer Institute					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	8.35E+6	n/a	n/a	n/a	n/a	7.4	25
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description BRD4(1): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents wer...				US Patent US9320741 (2016) BindingDB Entry DOI: 10.7270/Q2KP811P
DANA-FARBER CANCER INSTITUTE, INC. US Patent					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	5.21E+7	n/a	n/a	n/a	n/a	7.4	25
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description BRD4(2): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents wer...				US Patent US9320741 (2016) BindingDB Entry DOI: 10.7270/Q2KP811P
DANA-FARBER CANCER INSTITUTE, INC. US Patent					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	8.35E+6	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description All reagents were diluted in 50 mM HEPES, 100 mM NaCl, 0.1% BSA, pH 7.4 supplemented with 0.05% CHAPS and allowed to equilibrate to room temperature ...				US Patent US10407441 (2019) BindingDB Entry DOI: 10.7270/Q2RJ4MV4
Dana-Farber Cancer Institute, Inc. US Patent					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 2 domain(BRD4 BD2) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	5.21E+7	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description All reagents were diluted in 50 mM HEPES, 100 mM NaCl, 0.1% BSA, pH 7.4 supplemented with 0.05% CHAPS and allowed to equilibrate to room temperature ...				US Patent US10407441 (2019) BindingDB Entry DOI: 10.7270/Q2RJ4MV4
Dana-Farber Cancer Institute, Inc. US Patent					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a
Boston University Curated by ChEMBL					Assay Description Inhibition of human BRD4 bromodomain1 expressed in BL21(DE3) cells by isothermal calorimetry				J Med Chem 62: 10005-10025 (2019) Article DOI: 10.1021/acs.jmedchem.8b01732
Boston University Curated by ChEMBL					More data for this Ligand-Target Pair
BRD4 bromodomain 1 (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	8.35E+6	n/a	n/a	n/a	n/a	n/a	n/a
Tensha Therapeutics, Inc. US Patent					Assay Description The binding activity of lead compounds with the BRD4 site 1 was determined by Alpha-assay with a 12-point dose response curve				US Patent US10925881 (2021)
Tensha Therapeutics, Inc. US Patent					More data for this Ligand-Target Pair
BRD4 bromodomain 2 (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	5.21E+7	n/a	n/a	n/a	n/a	n/a	n/a
Tensha Therapeutics, Inc. US Patent					Assay Description The binding activity of lead compounds with the BRD4 site 2 was determined by Alpha-assay with a 12-point dose response curve				US Patent US10925881 (2021)
Tensha Therapeutics, Inc. US Patent					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (aa 74-94) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a
St. Jude Children''s Research Hospital US Patent					Assay Description Binding of compounds to BRD2 was monitored using an ITC200 (Microcal, Piscataway, N.J.). Either Brd2.1 (74-194) or Brd2.2 (348-455) was dialyzed over...				US Patent US11028051 (2021)
St. Jude Children''s Research Hospital US Patent					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (aa 348-455) (Homo sapiens (Human))	BDBM205429 ( (R)-JQ1 (3) \| US10407441, Compound (R)-JQ1 \| US10...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute					Assay Description Refer to DiscoverX				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
Dana-Farber Cancer Institute					More data for this Ligand-Target Pair