BDBM50414967 CHEMBL271801

SMILES: O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncc1

InChI Key: InChIKey=KHWFDRKDQCSBEW-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 = 50414967   

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))	BDBM50414967 (CHEMBL271801) Show SMILES O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncc1 Show InChI InChI=1S/C28H31N3O2/c32-27(24-9-15-29-16-10-24)31-19-13-28(14-20-31)11-17-30(18-12-28)22-23-5-4-8-26(21-23)33-25-6-2-1-3-7-25/h1-10,15-16,21H,11-14,17-20,22H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50414967 (CHEMBL271801) Show SMILES O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncc1 Show InChI InChI=1S/C28H31N3O2/c32-27(24-9-15-29-16-10-24)31-19-13-28(14-20-31)11-17-30(18-12-28)22-23-5-4-8-26(21-23)33-25-6-2-1-3-7-25/h1-10,15-16,21H,11-14,17-20,22H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17.4	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))	BDBM50414967 (CHEMBL271801) Show SMILES O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncc1 Show InChI InChI=1S/C28H31N3O2/c32-27(24-9-15-29-16-10-24)31-19-13-28(14-20-31)11-17-30(18-12-28)22-23-5-4-8-26(21-23)33-25-6-2-1-3-7-25/h1-10,15-16,21H,11-14,17-20,22H2	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	447	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50414967 (CHEMBL271801) Show SMILES O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncc1 Show InChI InChI=1S/C28H31N3O2/c32-27(24-9-15-29-16-10-24)31-19-13-28(14-20-31)11-17-30(18-12-28)22-23-5-4-8-26(21-23)33-25-6-2-1-3-7-25/h1-10,15-16,21H,11-14,17-20,22H2	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	363	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