BDBM50372569 CHEMBL257670

SMILES: COc1cc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc(OC)c1

InChI Key: InChIKey=ZNHZMFMDDLFSPW-UHFFFAOYSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50372569   

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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50372569 (CHEMBL257670) Show SMILES COc1cc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc(OC)c1 Show InChI InChI=1S/C24H25N5O4/c1-14-8-15(2)29(28-14)22-13-21(26-24(27-22)20-7-6-16(3)33-20)25-23(30)11-17-9-18(31-4)12-19(10-17)32-5/h6-10,12-13H,11H2,1-5H3,(H,25,26,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 1269-73 (2008) Article DOI: 10.1016/j.bmcl.2008.01.036 BindingDB Entry DOI: 10.7270/Q2K35VGF
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50372569 (CHEMBL257670) Show SMILES COc1cc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc(OC)c1 Show InChI InChI=1S/C24H25N5O4/c1-14-8-15(2)29(28-14)22-13-21(26-24(27-22)20-7-6-16(3)33-20)25-23(30)11-17-9-18(31-4)12-19(10-17)32-5/h6-10,12-13H,11H2,1-5H3,(H,25,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK cells assessed as effect on electric current by patch clamp assay				Bioorg Med Chem Lett 18: 1269-73 (2008) Article DOI: 10.1016/j.bmcl.2008.01.036 BindingDB Entry DOI: 10.7270/Q2K35VGF
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50372569 (CHEMBL257670) Show SMILES COc1cc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc(OC)c1 Show InChI InChI=1S/C24H25N5O4/c1-14-8-15(2)29(28-14)22-13-21(26-24(27-22)20-7-6-16(3)33-20)25-23(30)11-17-9-18(31-4)12-19(10-17)32-5/h6-10,12-13H,11H2,1-5H3,(H,25,26,27,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 18: 1269-73 (2008) Article DOI: 10.1016/j.bmcl.2008.01.036 BindingDB Entry DOI: 10.7270/Q2K35VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50372569 (CHEMBL257670) Show SMILES COc1cc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc(OC)c1 Show InChI InChI=1S/C24H25N5O4/c1-14-8-15(2)29(28-14)22-13-21(26-24(27-22)20-7-6-16(3)33-20)25-23(30)11-17-9-18(31-4)12-19(10-17)32-5/h6-10,12-13H,11H2,1-5H3,(H,25,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 18: 1269-73 (2008) Article DOI: 10.1016/j.bmcl.2008.01.036 BindingDB Entry DOI: 10.7270/Q2K35VGF
					More data for this Ligand-Target Pair