Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 330.4 BDBM50269702

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50269702 (CHEMBL4061901) Show SMILES CC(C)N1CCC(CC1)N(C)C(=O)c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C18H26N4O2/c1-12(2)22-9-6-13(7-10-22)21(4)17(23)15-11-20(3)18(24)16-14(15)5-8-19-16/h5,8,11-13,19H,6-7,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc., 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay				ACS Med Chem Lett 8: 737-741 (2017) Article DOI: 10.1021/acsmedchemlett.7b00132 BindingDB Entry DOI: 10.7270/Q2862JXN
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50269702 (CHEMBL4061901) Show SMILES CC(C)N1CCC(CC1)N(C)C(=O)c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C18H26N4O2/c1-12(2)22-9-6-13(7-10-22)21(4)17(23)15-11-20(3)18(24)16-14(15)5-8-19-16/h5,8,11-13,19H,6-7,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc., 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-FLAG-tagged TAF1 bromodomain 2 (unknown origin) expressed in Rosetta2 (DE3) pLysS cells after 60 mins...				ACS Med Chem Lett 8: 737-741 (2017) Article DOI: 10.1021/acsmedchemlett.7b00132 BindingDB Entry DOI: 10.7270/Q2862JXN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50269702 (CHEMBL4061901) Show SMILES CC(C)N1CCC(CC1)N(C)C(=O)c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C18H26N4O2/c1-12(2)22-9-6-13(7-10-22)21(4)17(23)15-11-20(3)18(24)16-14(15)5-8-19-16/h5,8,11-13,19H,6-7,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc., 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-FLAG-tagged BRD9 (unknown origin) expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET as...				ACS Med Chem Lett 8: 737-741 (2017) Article DOI: 10.1021/acsmedchemlett.7b00132 BindingDB Entry DOI: 10.7270/Q2862JXN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50269702 (CHEMBL4061901) Show SMILES CC(C)N1CCC(CC1)N(C)C(=O)c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C18H26N4O2/c1-12(2)22-9-6-13(7-10-22)21(4)17(23)15-11-20(3)18(24)16-14(15)5-8-19-16/h5,8,11-13,19H,6-7,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc., 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-FLAG-tagged BRD4 bromodomain 2 (unknown origin) expressed in Rosetta2 (DE3) pLysS cells after 60 mins...				ACS Med Chem Lett 8: 737-741 (2017) Article DOI: 10.1021/acsmedchemlett.7b00132 BindingDB Entry DOI: 10.7270/Q2862JXN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50269702 (CHEMBL4061901) Show SMILES CC(C)N1CCC(CC1)N(C)C(=O)c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C18H26N4O2/c1-12(2)22-9-6-13(7-10-22)21(4)17(23)15-11-20(3)18(24)16-14(15)5-8-19-16/h5,8,11-13,19H,6-7,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc., 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-FLAG-tagged BRD4 bromodomain 1 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay				ACS Med Chem Lett 8: 737-741 (2017) Article DOI: 10.1021/acsmedchemlett.7b00132 BindingDB Entry DOI: 10.7270/Q2862JXN
					More data for this Ligand-Target Pair