BDBM50504834 CHEMBL4591410

SMILES: COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cn[nH]c3)c2c1

InChI Key: InChIKey=WZHSLWWHUWNSDV-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 = 50504834   

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))	BDBM50504834 (CHEMBL4591410) Show SMILES COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cn[nH]c3)c2c1 Show InChI InChI=1S/C19H20N4O2/c1-24-15-2-4-18-17(8-15)13(9-21-18)6-7-20-12-16-3-5-19(25-16)14-10-22-23-11-14/h2-5,8-11,20-21H,6-7,12H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	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))	BDBM50504834 (CHEMBL4591410) Show SMILES COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cn[nH]c3)c2c1 Show InChI InChI=1S/C19H20N4O2/c1-24-15-2-4-18-17(8-15)13(9-21-18)6-7-20-12-16-3-5-19(25-16)14-10-22-23-11-14/h2-5,8-11,20-21H,6-7,12H2,1H3,(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	121	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))	BDBM50504834 (CHEMBL4591410) Show SMILES COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cn[nH]c3)c2c1 Show InChI InChI=1S/C19H20N4O2/c1-24-15-2-4-18-17(8-15)13(9-21-18)6-7-20-12-16-3-5-19(25-16)14-10-22-23-11-14/h2-5,8-11,20-21H,6-7,12H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	146	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))	BDBM50504834 (CHEMBL4591410) Show SMILES COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cn[nH]c3)c2c1 Show InChI InChI=1S/C19H20N4O2/c1-24-15-2-4-18-17(8-15)13(9-21-18)6-7-20-12-16-3-5-19(25-16)14-10-22-23-11-14/h2-5,8-11,20-21H,6-7,12H2,1H3,(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50504834 (CHEMBL4591410) Show SMILES COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cn[nH]c3)c2c1 Show InChI InChI=1S/C19H20N4O2/c1-24-15-2-4-18-17(8-15)13(9-21-18)6-7-20-12-16-3-5-19(25-16)14-10-22-23-11-14/h2-5,8-11,20-21H,6-7,12H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.73E+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