BDBM50530215 CHEMBL4475133

SMILES: [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2NC)c1cccnc1

InChI Key: InChIKey=ZQRAJQXGAQNQED-JULQROHOSA-N

Data: 2 KI  6 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 8 hits for monomerid = 50530215   

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))	BDBM50530215 (CHEMBL4475133) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2NC)c1cccnc1 |r,TLB:9:8:2.3:6,THB:11:7:2.3:6| Show InChI InChI=1S/C13H18N2/c1-14-13-10-5-4-9(7-10)12(13)11-3-2-6-15-8-11/h2-3,6,8-10,12-14H,4-5,7H2,1H3/t9-,10+,12-,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	352	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]-methyllycaconitine from alpha7* nAChR in rat brain P2 membranes after 2.5 hrs by liquid scintillation spectrometry				J Med Chem 62: 1887-1901 (2019) Article DOI: 10.1021/acs.jmedchem.8b01372
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50530215 (CHEMBL4475133) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2NC)c1cccnc1 |r,TLB:9:8:2.3:6,THB:11:7:2.3:6| Show InChI InChI=1S/C13H18N2/c1-14-13-10-5-4-9(7-10)12(13)11-3-2-6-15-8-11/h2-3,6,8-10,12-14H,4-5,7H2,1H3/t9-,10+,12-,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	352	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]-methyllycaconitine from alpha7* nAChR in rat brain P2 membranes after 2.5 hrs by liquid scintillation spectrometry				J Med Chem 62: 1887-1901 (2019) Article DOI: 10.1021/acs.jmedchem.8b01372
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50530215 (CHEMBL4475133) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2NC)c1cccnc1 |r,TLB:9:8:2.3:6,THB:11:7:2.3:6| Show InChI InChI=1S/C13H18N2/c1-14-13-10-5-4-9(7-10)12(13)11-3-2-6-15-8-11/h2-3,6,8-10,12-14H,4-5,7H2,1H3/t9-,10+,12-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.29E+3	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in mouse Neuro2a cells co-expressing chaperone NACHO assessed as increase in intracellular Ca2+ leve...				J Med Chem 62: 1887-1901 (2019) Article DOI: 10.1021/acs.jmedchem.8b01372
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit (Homo sapiens (Human))	BDBM50530215 (CHEMBL4475133) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2NC)c1cccnc1 |r,TLB:9:8:2.3:6,THB:11:7:2.3:6| Show InChI InChI=1S/C13H18N2/c1-14-13-10-5-4-9(7-10)12(13)11-3-2-6-15-8-11/h2-3,6,8-10,12-14H,4-5,7H2,1H3/t9-,10+,12-,13+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.55E+4	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Agonist activity at human alpha3beta2 nAChR expressed in Xenopus laevis oocytes after 4 to 5 days at -60 mV holding potential by patch clamp assay				J Med Chem 62: 1887-1901 (2019) Article DOI: 10.1021/acs.jmedchem.8b01372
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50530215 (CHEMBL4475133) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2NC)c1cccnc1 |r,TLB:9:8:2.3:6,THB:11:7:2.3:6| Show InChI InChI=1S/C13H18N2/c1-14-13-10-5-4-9(7-10)12(13)11-3-2-6-15-8-11/h2-3,6,8-10,12-14H,4-5,7H2,1H3/t9-,10+,12-,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes after 4 to 5 days at -60 mV holding potential by patch clamp assay				J Med Chem 62: 1887-1901 (2019) Article DOI: 10.1021/acs.jmedchem.8b01372
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50530215 (CHEMBL4475133) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2NC)c1cccnc1 |r,TLB:9:8:2.3:6,THB:11:7:2.3:6| Show InChI InChI=1S/C13H18N2/c1-14-13-10-5-4-9(7-10)12(13)11-3-2-6-15-8-11/h2-3,6,8-10,12-14H,4-5,7H2,1H3/t9-,10+,12-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.29E+3	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in mouse Neuro2a cells co-expressing chaperone NACHO assessed as increase in intracellular Ca2+ leve...				J Med Chem 62: 1887-1901 (2019) Article DOI: 10.1021/acs.jmedchem.8b01372
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit (Homo sapiens (Human))	BDBM50530215 (CHEMBL4475133) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2NC)c1cccnc1 |r,TLB:9:8:2.3:6,THB:11:7:2.3:6| Show InChI InChI=1S/C13H18N2/c1-14-13-10-5-4-9(7-10)12(13)11-3-2-6-15-8-11/h2-3,6,8-10,12-14H,4-5,7H2,1H3/t9-,10+,12-,13+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.55E+4	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Agonist activity at human alpha3beta2 nAChR expressed in Xenopus laevis oocytes after 4 to 5 days at -60 mV holding potential by patch clamp assay				J Med Chem 62: 1887-1901 (2019) Article DOI: 10.1021/acs.jmedchem.8b01372
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50530215 (CHEMBL4475133) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2NC)c1cccnc1 |r,TLB:9:8:2.3:6,THB:11:7:2.3:6| Show InChI InChI=1S/C13H18N2/c1-14-13-10-5-4-9(7-10)12(13)11-3-2-6-15-8-11/h2-3,6,8-10,12-14H,4-5,7H2,1H3/t9-,10+,12-,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes after 4 to 5 days at -60 mV holding potential by patch clamp assay				J Med Chem 62: 1887-1901 (2019) Article DOI: 10.1021/acs.jmedchem.8b01372
					More data for this Ligand-Target Pair