BDBM50504817 CHEMBL4442111

SMILES: Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccc(Cl)cc23)o1

InChI Key: InChIKey=IQSHZXCDVNWAOT-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 = 50504817   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50504817 (CHEMBL4442111) Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccc(Cl)cc23)o1 Show InChI InChI=1S/C21H19ClN2O2/c22-16-3-7-20-19(11-16)15(12-24-20)9-10-23-13-18-6-8-21(26-18)14-1-4-17(25)5-2-14/h1-8,11-12,23-25H,9-10,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to human 5-HT2AR expressed in HEK293 cells by competitive binding assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111857
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50504817 (CHEMBL4442111) Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccc(Cl)cc23)o1 Show InChI InChI=1S/C21H19ClN2O2/c22-16-3-7-20-19(11-16)15(12-24-20)9-10-23-13-18-6-8-21(26-18)14-1-4-17(25)5-2-14/h1-8,11-12,23-25H,9-10,13H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cells after 1 hr by microbeta plate reader analysis				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111857
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50504817 (CHEMBL4442111) Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccc(Cl)cc23)o1 Show InChI InChI=1S/C21H19ClN2O2/c22-16-3-7-20-19(11-16)15(12-24-20)9-10-23-13-18-6-8-21(26-18)14-1-4-17(25)5-2-14/h1-8,11-12,23-25H,9-10,13H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	431	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by microbeta plate reader analysis				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111857
					More data for this Ligand-Target Pair