BDBM50530217 CHEMBL4550498

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

InChI Key: InChIKey=LOMLRBVYEJFUID-BSJXLVFVSA-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 = 50530217   

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))	BDBM50530217 (CHEMBL4550498) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2N)c1cccnc1 |r,TLB:9:8:2.3:6,THB:10:7:2.3:6| Show InChI InChI=1S/C12H16N2/c13-12-9-4-3-8(6-9)11(12)10-2-1-5-14-7-10/h1-2,5,7-9,11-12H,3-4,6,13H2/t8-,9+,11-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	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))	BDBM50530217 (CHEMBL4550498) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2N)c1cccnc1 |r,TLB:9:8:2.3:6,THB:10:7:2.3:6| Show InChI InChI=1S/C12H16N2/c13-12-9-4-3-8(6-9)11(12)10-2-1-5-14-7-10/h1-2,5,7-9,11-12H,3-4,6,13H2/t8-,9+,11-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	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-3/beta-2 subunit (Homo sapiens (Human))	BDBM50530217 (CHEMBL4550498) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2N)c1cccnc1 |r,TLB:9:8:2.3:6,THB:10:7:2.3:6| Show InChI InChI=1S/C12H16N2/c13-12-9-4-3-8(6-9)11(12)10-2-1-5-14-7-10/h1-2,5,7-9,11-12H,3-4,6,13H2/t8-,9+,11-,12+/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	6.32E+3	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))	BDBM50530217 (CHEMBL4550498) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2N)c1cccnc1 |r,TLB:9:8:2.3:6,THB:10:7:2.3:6| Show InChI InChI=1S/C12H16N2/c13-12-9-4-3-8(6-9)11(12)10-2-1-5-14-7-10/h1-2,5,7-9,11-12H,3-4,6,13H2/t8-,9+,11-,12+/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	5.98E+3	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 (Rattus norvegicus (Rat))	BDBM50530217 (CHEMBL4550498) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2N)c1cccnc1 |r,TLB:9:8:2.3:6,THB:10:7:2.3:6| Show InChI InChI=1S/C12H16N2/c13-12-9-4-3-8(6-9)11(12)10-2-1-5-14-7-10/h1-2,5,7-9,11-12H,3-4,6,13H2/t8-,9+,11-,12+/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	5.98E+3	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))	BDBM50530217 (CHEMBL4550498) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2N)c1cccnc1 |r,TLB:9:8:2.3:6,THB:10:7:2.3:6| Show InChI InChI=1S/C12H16N2/c13-12-9-4-3-8(6-9)11(12)10-2-1-5-14-7-10/h1-2,5,7-9,11-12H,3-4,6,13H2/t8-,9+,11-,12+/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	48	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))	BDBM50530217 (CHEMBL4550498) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2N)c1cccnc1 |r,TLB:9:8:2.3:6,THB:10:7:2.3:6| Show InChI InChI=1S/C12H16N2/c13-12-9-4-3-8(6-9)11(12)10-2-1-5-14-7-10/h1-2,5,7-9,11-12H,3-4,6,13H2/t8-,9+,11-,12+/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	6.32E+3	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 protein alpha-7 subunit (Homo sapiens (Human))	BDBM50530217 (CHEMBL4550498) Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H]([C@@H]2N)c1cccnc1 |r,TLB:9:8:2.3:6,THB:10:7:2.3:6| Show InChI InChI=1S/C12H16N2/c13-12-9-4-3-8(6-9)11(12)10-2-1-5-14-7-10/h1-2,5,7-9,11-12H,3-4,6,13H2/t8-,9+,11-,12+/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	48	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