BDBM50530962 CHEMBL4441937

SMILES: COc1ccc(c(F)c1)-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1

InChI Key: InChIKey=CTKGVRLKMSOBAN-UHFFFAOYSA-N

Data: 2 IC50  4 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 6 hits for monomerid = 50530962   

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 protein alpha-7 subunit (Homo sapiens (Human))	BDBM50530962 (CHEMBL4441937) Show SMILES COc1ccc(c(F)c1)-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21FN6O/c1-31-18-8-9-19(20(24)12-18)21-13-22(29-23(25)28-21)30(14-16-6-2-4-10-26-16)15-17-7-3-5-11-27-17/h2-13H,14-15H2,1H3,(H2,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as increase in channel currents at -60 mV holding potential by tw...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50530962 (CHEMBL4441937) Show SMILES COc1ccc(c(F)c1)-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21FN6O/c1-31-18-8-9-19(20(24)12-18)21-13-22(29-23(25)28-21)30(14-16-6-2-4-10-26-16)15-17-7-3-5-11-27-17/h2-13H,14-15H2,1H3,(H2,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50530962 (CHEMBL4441937) Show SMILES COc1ccc(c(F)c1)-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21FN6O/c1-31-18-8-9-19(20(24)12-18)21-13-22(29-23(25)28-21)30(14-16-6-2-4-10-26-16)15-17-7-3-5-11-27-17/h2-13H,14-15H2,1H3,(H2,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as increase in channel currents at -60 mV holding potential by tw...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50530962 (CHEMBL4441937) Show SMILES COc1ccc(c(F)c1)-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21FN6O/c1-31-18-8-9-19(20(24)12-18)21-13-22(29-23(25)28-21)30(14-16-6-2-4-10-26-16)15-17-7-3-5-11-27-17/h2-13H,14-15H2,1H3,(H2,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50530962 (CHEMBL4441937) Show SMILES COc1ccc(c(F)c1)-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21FN6O/c1-31-18-8-9-19(20(24)12-18)21-13-22(29-23(25)28-21)30(14-16-6-2-4-10-26-16)15-17-7-3-5-11-27-17/h2-13H,14-15H2,1H3,(H2,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as decrease in ACh-induced channel currents at -60 mV holding potential...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50530962 (CHEMBL4441937) Show SMILES COc1ccc(c(F)c1)-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21FN6O/c1-31-18-8-9-19(20(24)12-18)21-13-22(29-23(25)28-21)30(14-16-6-2-4-10-26-16)15-17-7-3-5-11-27-17/h2-13H,14-15H2,1H3,(H2,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as decrease in ACh-induced channel currents at -60 mV holding potential...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467
					More data for this Ligand-Target Pair