BDBM50504844 CHEMBL4448285

SMILES: COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cnc4ccccc4c3)c2c1

InChI Key: InChIKey=LDFDHYVHCWAUGE-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 = 50504844   

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))	BDBM50504844 (CHEMBL4448285) Show SMILES COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cnc4ccccc4c3)c2c1 Show InChI InChI=1S/C25H23N3O2/c1-29-20-6-8-24-22(13-20)18(14-28-24)10-11-26-16-21-7-9-25(30-21)19-12-17-4-2-3-5-23(17)27-15-19/h2-9,12-15,26,28H,10-11,16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	101	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))	BDBM50504844 (CHEMBL4448285) Show SMILES COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cnc4ccccc4c3)c2c1 Show InChI InChI=1S/C25H23N3O2/c1-29-20-6-8-24-22(13-20)18(14-28-24)10-11-26-16-21-7-9-25(30-21)19-12-17-4-2-3-5-23(17)27-15-19/h2-9,12-15,26,28H,10-11,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	843	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))	BDBM50504844 (CHEMBL4448285) Show SMILES COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cnc4ccccc4c3)c2c1 Show InChI InChI=1S/C25H23N3O2/c1-29-20-6-8-24-22(13-20)18(14-28-24)10-11-26-16-21-7-9-25(30-21)19-12-17-4-2-3-5-23(17)27-15-19/h2-9,12-15,26,28H,10-11,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.03E+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]-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))	BDBM50504844 (CHEMBL4448285) Show SMILES COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cnc4ccccc4c3)c2c1 Show InChI InChI=1S/C25H23N3O2/c1-29-20-6-8-24-22(13-20)18(14-28-24)10-11-26-16-21-7-9-25(30-21)19-12-17-4-2-3-5-23(17)27-15-19/h2-9,12-15,26,28H,10-11,16H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.05E+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]-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))	BDBM50504844 (CHEMBL4448285) Show SMILES COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cnc4ccccc4c3)c2c1 Show InChI InChI=1S/C25H23N3O2/c1-29-20-6-8-24-22(13-20)18(14-28-24)10-11-26-16-21-7-9-25(30-21)19-12-17-4-2-3-5-23(17)27-15-19/h2-9,12-15,26,28H,10-11,16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.86E+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