BDBM50222050 CHEMBL92856

SMILES: COc1ccc(c(OC)c1)-c1cccc(NC2=NCCN2)c1C

InChI Key: InChIKey=QCFVZYVSAGZVRZ-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50222050   

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
Serotonin (5-HT) receptor (Rattus norvegicus (rat))	BDBM50222050 (CHEMBL92856) Show SMILES COc1ccc(c(OC)c1)-c1cccc(NC2=NCCN2)c1C |t:17| Show InChI InChI=1S/C18H21N3O2/c1-12-14(15-8-7-13(22-2)11-17(15)23-3)5-4-6-16(12)21-18-19-9-10-20-18/h4-8,11H,9-10H2,1-3H3,(H2,19,20,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-5-CT binding to 5-hydroxytryptamine 7 receptor of rat cortical membranes				Bioorg Med Chem Lett 13: 269-71 (2003) BindingDB Entry DOI: 10.7270/Q2GQ7108
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50222050 (CHEMBL92856) Show SMILES COc1ccc(c(OC)c1)-c1cccc(NC2=NCCN2)c1C |t:17| Show InChI InChI=1S/C18H21N3O2/c1-12-14(15-8-7-13(22-2)11-17(15)23-3)5-4-6-16(12)21-18-19-9-10-20-18/h4-8,11H,9-10H2,1-3H3,(H2,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Affinity for Alpha-2 adrenergic receptor of rat cortical membranes				Bioorg Med Chem Lett 13: 269-71 (2003) BindingDB Entry DOI: 10.7270/Q2GQ7108
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50222050 (CHEMBL92856) Show SMILES COc1ccc(c(OC)c1)-c1cccc(NC2=NCCN2)c1C |t:17| Show InChI InChI=1S/C18H21N3O2/c1-12-14(15-8-7-13(22-2)11-17(15)23-3)5-4-6-16(12)21-18-19-9-10-20-18/h4-8,11H,9-10H2,1-3H3,(H2,19,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Affinity for Alpha-1 adrenergic receptor of rat cortical membranes				Bioorg Med Chem Lett 13: 269-71 (2003) BindingDB Entry DOI: 10.7270/Q2GQ7108
					More data for this Ligand-Target Pair