BDBM50388677 CHEMBL2059314

SMILES: O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2cnccc2[nH]c1=O

InChI Key: InChIKey=OMSMDLGOLRRGGT-UHFFFAOYSA-N

Data: 1 KI  1 IC50  1 EC50

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 = 50388677   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50388677 (CHEMBL2059314) Show SMILES O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2cnccc2[nH]c1=O Show InChI InChI=1S/C22H25N5O3/c28-21-15-30-20-5-2-1-4-18(20)26(21)11-3-10-25-12-7-16(8-13-25)27-19-14-23-9-6-17(19)24-22(27)29/h1-2,4-6,9,14,16H,3,7-8,10-13,15H2,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50388677 (CHEMBL2059314) Show SMILES O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2cnccc2[nH]c1=O Show InChI InChI=1S/C22H25N5O3/c28-21-15-30-20-5-2-1-4-18(20)26(21)11-3-10-25-12-7-16(8-13-25)27-19-14-23-9-6-17(19)24-22(27)29/h1-2,4-6,9,14,16H,3,7-8,10-13,15H2,(H,24,29)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Agonist activity at human M1 receptor expressed in CHO-K1 cells assessed as calcium mobilization for 6 mins by Calcium4-based staining				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50388677 (CHEMBL2059314) Show SMILES O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2cnccc2[nH]c1=O Show InChI InChI=1S/C22H25N5O3/c28-21-15-30-20-5-2-1-4-18(20)26(21)11-3-10-25-12-7-16(8-13-25)27-19-14-23-9-6-17(19)24-22(27)29/h1-2,4-6,9,14,16H,3,7-8,10-13,15H2,(H,24,29)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells after 30 mins by Rb+ flux assay				Bioorg Med Chem Lett 22: 5134-40 (2012) Article DOI: 10.1016/j.bmcl.2012.05.048 BindingDB Entry DOI: 10.7270/Q24M95MM
					More data for this Ligand-Target Pair