BDBM50503413 CHEMBL4566599

SMILES: COc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12

InChI Key: InChIKey=IPQLFXYRKFCCRJ-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50503413   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50503413 (CHEMBL4566599) Show SMILES COc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H24N4O4/c1-3-4-7-26-14-18(16-5-6-23-19(16)22(26)28)15-12-17(20(29-2)24-13-15)21(27)25-8-10-30-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged BRD4 bromodomain 1 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50503413 (CHEMBL4566599) Show SMILES COc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H24N4O4/c1-3-4-7-26-14-18(16-5-6-23-19(16)22(26)28)15-12-17(20(29-2)24-13-15)21(27)25-8-10-30-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged BRD4 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50503413 (CHEMBL4566599) Show SMILES COc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H24N4O4/c1-3-4-7-26-14-18(16-5-6-23-19(16)22(26)28)15-12-17(20(29-2)24-13-15)21(27)25-8-10-30-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 1 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50503413 (CHEMBL4566599) Show SMILES COc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H24N4O4/c1-3-4-7-26-14-18(16-5-6-23-19(16)22(26)28)15-12-17(20(29-2)24-13-15)21(27)25-8-10-30-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50503413 (CHEMBL4566599) Show SMILES COc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H24N4O4/c1-3-4-7-26-14-18(16-5-6-23-19(16)22(26)28)15-12-17(20(29-2)24-13-15)21(27)25-8-10-30-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged BRD9 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225
					More data for this Ligand-Target Pair
Cat eye syndrome critical region protein 2 (Homo sapiens (Human))	BDBM50503413 (CHEMBL4566599) Show SMILES COc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H24N4O4/c1-3-4-7-26-14-18(16-5-6-23-19(16)22(26)28)15-12-17(20(29-2)24-13-15)21(27)25-8-10-30-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged CECR2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225
					More data for this Ligand-Target Pair