BDBM50414966 CHEMBL573216

SMILES: COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncn1

InChI Key: InChIKey=GMCICJZIANWTML-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 = 50414966   

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))	BDBM50414966 (CHEMBL573216) Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncn1 Show InChI InChI=1S/C28H32N4O3/c1-34-25-8-4-5-9-26(25)35-24-7-3-2-6-22(24)20-31-16-11-28(12-17-31)13-18-32(19-14-28)27(33)23-10-15-29-21-30-23/h2-10,15,21H,11-14,16-20H2,1H3	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	120	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50414966 (CHEMBL573216) Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncn1 Show InChI InChI=1S/C28H32N4O3/c1-34-25-8-4-5-9-26(25)35-24-7-3-2-6-22(24)20-31-16-11-28(12-17-31)13-18-32(19-14-28)27(33)23-10-15-29-21-30-23/h2-10,15,21H,11-14,16-20H2,1H3	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	70.8	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
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414966 (CHEMBL573216) Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncn1 Show InChI InChI=1S/C28H32N4O3/c1-34-25-8-4-5-9-26(25)35-24-7-3-2-6-22(24)20-31-16-11-28(12-17-31)13-18-32(19-14-28)27(33)23-10-15-29-21-30-23/h2-10,15,21H,11-14,16-20H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.8	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