BDBM50414957 CHEMBL429436

SMILES: Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1

InChI Key: InChIKey=RGZNEXHZUKHBNS-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 = 50414957   

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))	BDBM50414957 (CHEMBL429436) Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 Show InChI InChI=1S/C29H31ClN2O2/c30-25-11-9-24(10-12-25)28(33)32-19-15-29(16-20-32)13-17-31(18-14-29)22-23-5-4-8-27(21-23)34-26-6-2-1-3-7-26/h1-12,21H,13-20,22H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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))	BDBM50414957 (CHEMBL429436) Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 Show InChI InChI=1S/C29H31ClN2O2/c30-25-11-9-24(10-12-25)28(33)32-19-15-29(16-20-32)13-17-31(18-14-29)22-23-5-4-8-27(21-23)34-26-6-2-1-3-7-26/h1-12,21H,13-20,22H2	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	603	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))	BDBM50414957 (CHEMBL429436) Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 Show InChI InChI=1S/C29H31ClN2O2/c30-25-11-9-24(10-12-25)28(33)32-19-15-29(16-20-32)13-17-31(18-14-29)22-23-5-4-8-27(21-23)34-26-6-2-1-3-7-26/h1-12,21H,13-20,22H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.1	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))	BDBM50414957 (CHEMBL429436) Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 Show InChI InChI=1S/C29H31ClN2O2/c30-25-11-9-24(10-12-25)28(33)32-19-15-29(16-20-32)13-17-31(18-14-29)22-23-5-4-8-27(21-23)34-26-6-2-1-3-7-26/h1-12,21H,13-20,22H2	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	81.3	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