BDBM50504814 CHEMBL4465414

SMILES: Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccccc23)o1

InChI Key: InChIKey=JNJMDCMRJOXGIQ-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 = 50504814   

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))	BDBM50504814 (CHEMBL4465414) Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccccc23)o1 Show InChI InChI=1S/C21H20N2O2/c24-17-7-5-15(6-8-17)21-10-9-18(25-21)14-22-12-11-16-13-23-20-4-2-1-3-19(16)20/h1-10,13,22-24H,11-12,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	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))	BDBM50504814 (CHEMBL4465414) Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccccc23)o1 Show InChI InChI=1S/C21H20N2O2/c24-17-7-5-15(6-8-17)21-10-9-18(25-21)14-22-12-11-16-13-23-20-4-2-1-3-19(16)20/h1-10,13,22-24H,11-12,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	175	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 1A (Homo sapiens (Human))	BDBM50504814 (CHEMBL4465414) Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccccc23)o1 Show InChI InChI=1S/C21H20N2O2/c24-17-7-5-15(6-8-17)21-10-9-18(25-21)14-22-12-11-16-13-23-20-4-2-1-3-19(16)20/h1-10,13,22-24H,11-12,14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	292	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50504814 (CHEMBL4465414) Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccccc23)o1 Show InChI InChI=1S/C21H20N2O2/c24-17-7-5-15(6-8-17)21-10-9-18(25-21)14-22-12-11-16-13-23-20-4-2-1-3-19(16)20/h1-10,13,22-24H,11-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	757	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))	BDBM50504814 (CHEMBL4465414) Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccccc23)o1 Show InChI InChI=1S/C21H20N2O2/c24-17-7-5-15(6-8-17)21-10-9-18(25-21)14-22-12-11-16-13-23-20-4-2-1-3-19(16)20/h1-10,13,22-24H,11-12,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.62E+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