BDBM50414972 CHEMBL568296

SMILES: CC1Cc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccncc3)c2O1

InChI Key: InChIKey=JQIOFPJNEBMYKB-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50414972   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50414972 (CHEMBL568296) Show SMILES CC1Cc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccncc3)c2O1 Show InChI InChI=1S/C25H31N3O2/c1-19-17-21-3-2-4-22(23(21)30-19)18-27-13-7-25(8-14-27)9-15-28(16-10-25)24(29)20-5-11-26-12-6-20/h2-6,11-12,19H,7-10,13-18H2,1H3	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	8.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells by patch clamp method				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414972 (CHEMBL568296) Show SMILES CC1Cc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccncc3)c2O1 Show InChI InChI=1S/C25H31N3O2/c1-19-17-21-3-2-4-22(23(21)30-19)18-27-13-7-25(8-14-27)9-15-28(16-10-25)24(29)20-5-11-26-12-6-20/h2-6,11-12,19H,7-10,13-18H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR8				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50414972 (CHEMBL568296) Show SMILES CC1Cc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccncc3)c2O1 Show InChI InChI=1S/C25H31N3O2/c1-19-17-21-3-2-4-22(23(21)30-19)18-27-13-7-25(8-14-27)9-15-28(16-10-25)24(29)20-5-11-26-12-6-20/h2-6,11-12,19H,7-10,13-18H2,1H3	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	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of wild type human ERG expressed in CHOK1 cells by whole-cell plate-based electrophysiology				J Med Chem 52: 7706-23 (2009) Article DOI: 10.1021/jm900713y BindingDB Entry DOI: 10.7270/Q2TH8NZP
					More data for this Ligand-Target Pair