BDBM50504816 CHEMBL4474618

SMILES: COc1cccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(O)cc3)c12

InChI Key: InChIKey=CZLSEABFCZWLAR-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50504816   

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 6 (Homo sapiens (Human))	BDBM50504816 (CHEMBL4474618) Show SMILES COc1cccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(O)cc3)c12 Show InChI InChI=1S/C22H22N2O3/c1-26-21-4-2-3-19-22(21)16(13-24-19)11-12-23-14-18-9-10-20(27-18)15-5-7-17(25)8-6-15/h2-10,13,23-25H,11-12,14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	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 2A (Homo sapiens (Human))	BDBM50504816 (CHEMBL4474618) Show SMILES COc1cccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(O)cc3)c12 Show InChI InChI=1S/C22H22N2O3/c1-26-21-4-2-3-19-22(21)16(13-24-19)11-12-23-14-18-9-10-20(27-18)15-5-7-17(25)8-6-15/h2-10,13,23-25H,11-12,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	131	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50504816 (CHEMBL4474618) Show SMILES COc1cccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(O)cc3)c12 Show InChI InChI=1S/C22H22N2O3/c1-26-21-4-2-3-19-22(21)16(13-24-19)11-12-23-14-18-9-10-20(27-18)15-5-7-17(25)8-6-15/h2-10,13,23-25H,11-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	178	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]-raclopride from human D2R 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))	BDBM50504816 (CHEMBL4474618) Show SMILES COc1cccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(O)cc3)c12 Show InChI InChI=1S/C22H22N2O3/c1-26-21-4-2-3-19-22(21)16(13-24-19)11-12-23-14-18-9-10-20(27-18)15-5-7-17(25)8-6-15/h2-10,13,23-25H,11-12,14H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	732	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
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50504816 (CHEMBL4474618) Show SMILES COc1cccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(O)cc3)c12 Show InChI InChI=1S/C22H22N2O3/c1-26-21-4-2-3-19-22(21)16(13-24-19)11-12-23-14-18-9-10-20(27-18)15-5-7-17(25)8-6-15/h2-10,13,23-25H,11-12,14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+3	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]-CT from human 5-HT7 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