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SMILES: Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1Oc1ccccc1

InChI Key: InChIKey=KLYIVVNLQIHWNI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 342519   

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))	BDBM342519 (3-methyl-1-(2-phenoxyphenyl)-2,5,6,7-tetrahydro-4H...) Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1Oc1ccccc1 Show InChI InChI=1S/C21H19NO2/c1-14-20-17(11-7-12-18(20)23)21(22-14)16-10-5-6-13-19(16)24-15-8-3-2-4-9-15/h2-6,8-10,13,22H,7,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	255	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...				US Patent US9776990 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM342519 (3-methyl-1-(2-phenoxyphenyl)-2,5,6,7-tetrahydro-4H...) Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1Oc1ccccc1 Show InChI InChI=1S/C21H19NO2/c1-14-20-17(11-7-12-18(20)23)21(22-14)16-10-5-6-13-19(16)24-15-8-3-2-4-9-15/h2-6,8-10,13,22H,7,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA. Curated by ChEMBL					Assay Description Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay				Bioorg Med Chem Lett 27: 2225-2233 (2017) Article DOI: 10.1016/j.bmcl.2017.02.057 BindingDB Entry DOI: 10.7270/Q20P12FJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM342519 (3-methyl-1-(2-phenoxyphenyl)-2,5,6,7-tetrahydro-4H...) Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1Oc1ccccc1 Show InChI InChI=1S/C21H19NO2/c1-14-20-17(11-7-12-18(20)23)21(22-14)16-10-5-6-13-19(16)24-15-8-3-2-4-9-15/h2-6,8-10,13,22H,7,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	504	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9776990 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM342519 (3-methyl-1-(2-phenoxyphenyl)-2,5,6,7-tetrahydro-4H...) Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1Oc1ccccc1 Show InChI InChI=1S/C21H19NO2/c1-14-20-17(11-7-12-18(20)23)21(22-14)16-10-5-6-13-19(16)24-15-8-3-2-4-9-15/h2-6,8-10,13,22H,7,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA. Curated by ChEMBL					Assay Description Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay				Bioorg Med Chem Lett 27: 2225-2233 (2017) Article DOI: 10.1016/j.bmcl.2017.02.057 BindingDB Entry DOI: 10.7270/Q20P12FJ
					More data for this Ligand-Target Pair