BDBM50355118 CHEMBL1835609

SMILES: OCCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1

InChI Key: InChIKey=RJANNBFEAICXLW-ZDUSSCGKSA-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 = 50355118   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50355118 (CHEMBL1835609) Show SMILES OCCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H19N3O3/c19-5-1-2-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-3-4-17-13/h6-9,13,17,19H,1-5,10H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor by radioligand displacement assay				J Med Chem 54: 7280-8 (2011) Article DOI: 10.1021/jm200855b BindingDB Entry DOI: 10.7270/Q2RB750M
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50355118 (CHEMBL1835609) Show SMILES OCCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H19N3O3/c19-5-1-2-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-3-4-17-13/h6-9,13,17,19H,1-5,10H2/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine-induced 86Rb+ ion efflux by liquid...				J Med Chem 54: 7280-8 (2011) Article DOI: 10.1021/jm200855b BindingDB Entry DOI: 10.7270/Q2RB750M
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50355118 (CHEMBL1835609) Show SMILES OCCCc1cc(on1)-c1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C15H19N3O3/c19-5-1-2-12-7-15(21-18-12)11-6-14(9-16-8-11)20-10-13-3-4-17-13/h6-9,13,17,19H,1-5,10H2/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as increase of carbamylcholine-induced 86Rb+ ion efflux by liqui...				J Med Chem 54: 7280-8 (2011) Article DOI: 10.1021/jm200855b BindingDB Entry DOI: 10.7270/Q2RB750M
					More data for this Ligand-Target Pair