BDBM50414964 CHEMBL271128

SMILES: COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1

InChI Key: InChIKey=WWTXVMIWFBVHQA-UHFFFAOYSA-N

Data: 4 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 = 50414964   

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
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414964 (CHEMBL271128) Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1 Show InChI InChI=1S/C29H33N3O3/c1-34-26-8-4-5-9-27(26)35-25-7-3-2-6-24(25)22-31-18-12-29(13-19-31)14-20-32(21-15-29)28(33)23-10-16-30-17-11-23/h2-11,16-17H,12-15,18-22H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at CCR8 receptor				J Med Chem 51: 1162-78 (2008) Article DOI: 10.1021/jm070543k BindingDB Entry DOI: 10.7270/Q2C24XMG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50414964 (CHEMBL271128) Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1 Show InChI InChI=1S/C29H33N3O3/c1-34-26-8-4-5-9-27(26)35-25-7-3-2-6-24(25)22-31-18-12-29(13-19-31)14-20-32(21-15-29)28(33)23-10-16-30-17-11-23/h2-11,16-17H,12-15,18-22H2,1H3	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	45.7	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))	BDBM50414964 (CHEMBL271128) Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1 Show InChI InChI=1S/C29H33N3O3/c1-34-26-8-4-5-9-27(26)35-25-7-3-2-6-24(25)22-31-18-12-29(13-19-31)14-20-32(21-15-29)28(33)23-10-16-30-17-11-23/h2-11,16-17H,12-15,18-22H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.5	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))	BDBM50414964 (CHEMBL271128) Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1 Show InChI InChI=1S/C29H33N3O3/c1-34-26-8-4-5-9-27(26)35-25-7-3-2-6-24(25)22-31-18-12-29(13-19-31)14-20-32(21-15-29)28(33)23-10-16-30-17-11-23/h2-11,16-17H,12-15,18-22H2,1H3	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	30.2	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