BDBM50414981 CHEMBL567417

SMILES: CCCC1(CC)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1

InChI Key: InChIKey=KXLSNWXEEUBBQQ-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 = 50414981   

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))	BDBM50414981 (CHEMBL567417) Show SMILES CCCC1(CC)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1 Show InChI InChI=1S/C29H40N4O2/c1-3-10-29(4-2)19-24-22(6-5-7-26(24)35-29)21-32-15-11-28(12-16-32)13-17-33(18-14-28)27(34)25-9-8-23(30)20-31-25/h5-9,20H,3-4,10-19,21,30H2,1-2H3	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	3.98E+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))	BDBM50414981 (CHEMBL567417) Show SMILES CCCC1(CC)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1 Show InChI InChI=1S/C29H40N4O2/c1-3-10-29(4-2)19-24-22(6-5-7-26(24)35-29)21-32-15-11-28(12-16-32)13-17-33(18-14-28)27(34)25-9-8-23(30)20-31-25/h5-9,20H,3-4,10-19,21,30H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	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))	BDBM50414981 (CHEMBL567417) Show SMILES CCCC1(CC)Cc2c(O1)cccc2CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(N)cn1 Show InChI InChI=1S/C29H40N4O2/c1-3-10-29(4-2)19-24-22(6-5-7-26(24)35-29)21-32-15-11-28(12-16-32)13-17-33(18-14-28)27(34)25-9-8-23(30)20-31-25/h5-9,20H,3-4,10-19,21,30H2,1-2H3	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	3.47E+3	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