BDBM50398818 CHEMBL2177540

SMILES: CN1C[C@H]2C[C@@H](C1)C=C(C2)c1cccnc1

InChI Key: InChIKey=PWXQAVZNBKKQOF-NEPJUHHUSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50398818   

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
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50398818 (CHEMBL2177540) Show SMILES CN1C[C@H]2C[C@@H](C1)C=C(C2)c1cccnc1 |r,c:8| Show InChI InChI=1S/C14H18N2/c1-16-9-11-5-12(10-16)7-14(6-11)13-3-2-4-15-8-13/h2-4,6,8,11-12H,5,7,9-10H2,1H3/t11-,12+/m1/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	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50398818 (CHEMBL2177540) Show SMILES CN1C[C@H]2C[C@@H](C1)C=C(C2)c1cccnc1 |r,c:8| Show InChI InChI=1S/C14H18N2/c1-16-9-11-5-12(10-16)7-14(6-11)13-3-2-4-15-8-13/h2-4,6,8,11-12H,5,7,9-10H2,1H3/t11-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50398818 (CHEMBL2177540) Show SMILES CN1C[C@H]2C[C@@H](C1)C=C(C2)c1cccnc1 |r,c:8| Show InChI InChI=1S/C14H18N2/c1-16-9-11-5-12(10-16)7-14(6-11)13-3-2-4-15-8-13/h2-4,6,8,11-12H,5,7,9-10H2,1H3/t11-,12+/m1/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	>1.00E+4	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR high sensitivity form expressed in human SH-EP1 cells assessed as increase in calcium flux by FLIPR				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50398818 (CHEMBL2177540) Show SMILES CN1C[C@H]2C[C@@H](C1)C=C(C2)c1cccnc1 |r,c:8| Show InChI InChI=1S/C14H18N2/c1-16-9-11-5-12(10-16)7-14(6-11)13-3-2-4-15-8-13/h2-4,6,8,11-12H,5,7,9-10H2,1H3/t11-,12+/m1/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	3.50E+3	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells by whole cell voltage clamp based electrophysiology method				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50398818 (CHEMBL2177540) Show SMILES CN1C[C@H]2C[C@@H](C1)C=C(C2)c1cccnc1 |r,c:8| Show InChI InChI=1S/C14H18N2/c1-16-9-11-5-12(10-16)7-14(6-11)13-3-2-4-15-8-13/h2-4,6,8,11-12H,5,7,9-10H2,1H3/t11-,12+/m1/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	7.66E+3	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR low sensitivity form expressed in human SH-EP1 cells assessed as increase in calcium flux by FLIPR				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair