BDBM50319936 (1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane::CHEMBL1082655

SMILES: CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccccc1

InChI Key: InChIKey=GJYSEBOVCLZXAI-KBPBESRZSA-N

Data: 3 KI  2 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 = 50319936   

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 (Rattus norvegicus (Rat))	BDBM50319936 ((1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-di...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C16H18N4/c1-19-10-14-9-13(19)11-20(14)16-8-7-15(17-18-16)12-5-3-2-4-6-12/h2-8,13-14H,9-11H2,1H3/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting				Eur J Med Chem 95: 277-301 (2015) Article DOI: 10.1016/j.ejmech.2015.03.025 BindingDB Entry DOI: 10.7270/Q2DN46RR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50319936 ((1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-di...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C16H18N4/c1-19-10-14-9-13(19)11-20(14)16-8-7-15(17-18-16)12-5-3-2-4-6-12/h2-8,13-14H,9-11H2,1H3/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50319936 ((1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-di...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C16H18N4/c1-19-10-14-9-13(19)11-20(14)16-8-7-15(17-18-16)12-5-3-2-4-6-12/h2-8,13-14H,9-11H2,1H3/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nACHR in rat brain homogenate				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50319936 ((1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-di...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C16H18N4/c1-19-10-14-9-13(19)11-20(14)16-8-7-15(17-18-16)12-5-3-2-4-6-12/h2-8,13-14H,9-11H2,1H3/t13-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nACHR expressed in Xenopus oocyte assessed as activation of current by voltage clamp method				Bioorg Med Chem Lett 20: 3636-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50319936 ((1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-di...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C16H18N4/c1-19-10-14-9-13(19)11-20(14)16-8-7-15(17-18-16)12-5-3-2-4-6-12/h2-8,13-14H,9-11H2,1H3/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in GH4C1 cells by fluorescent calcium assay				Eur J Med Chem 95: 277-301 (2015) Article DOI: 10.1016/j.ejmech.2015.03.025 BindingDB Entry DOI: 10.7270/Q2DN46RR
					More data for this Ligand-Target Pair