BDBM50504812 CHEMBL4536315

SMILES: COc1ccc2[nH]c(C)c(CCNCc3ccc(o3)-c3ccc(O)cc3)c2c1

InChI Key: InChIKey=YVYFBBDHUFSWDX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50504812   

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))	BDBM50504812 (CHEMBL4536315) Show SMILES COc1ccc2[nH]c(C)c(CCNCc3ccc(o3)-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C23H24N2O3/c1-15-20(21-13-18(27-2)7-9-22(21)25-15)11-12-24-14-19-8-10-23(28-19)16-3-5-17(26)6-4-16/h3-10,13,24-26H,11-12,14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	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))	BDBM50504812 (CHEMBL4536315) Show SMILES COc1ccc2[nH]c(C)c(CCNCc3ccc(o3)-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C23H24N2O3/c1-15-20(21-13-18(27-2)7-9-22(21)25-15)11-12-24-14-19-8-10-23(28-19)16-3-5-17(26)6-4-16/h3-10,13,24-26H,11-12,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	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))	BDBM50504812 (CHEMBL4536315) Show SMILES COc1ccc2[nH]c(C)c(CCNCc3ccc(o3)-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C23H24N2O3/c1-15-20(21-13-18(27-2)7-9-22(21)25-15)11-12-24-14-19-8-10-23(28-19)16-3-5-17(26)6-4-16/h3-10,13,24-26H,11-12,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	167	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 7 (Homo sapiens (Human))	BDBM50504812 (CHEMBL4536315) Show SMILES COc1ccc2[nH]c(C)c(CCNCc3ccc(o3)-c3ccc(O)cc3)c2c1 Show InChI InChI=1S/C23H24N2O3/c1-15-20(21-13-18(27-2)7-9-22(21)25-15)11-12-24-14-19-8-10-23(28-19)16-3-5-17(26)6-4-16/h3-10,13,24-26H,11-12,14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.32E+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