BDBM50305263 2,8-Dimethyl-5-phenethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole::CHEMBL592752

SMILES: CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccccc1

InChI Key: InChIKey=IBUHDDLETPJVGP-UHFFFAOYSA-N

Data: 5 KI  3 IC50

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 8 hits for monomerid = 50305263   

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 2C (Homo sapiens (Human))	BDBM50305263 (2,8-Dimethyl-5-phenethyl-2,3,4,5-tetrahydro-1H-pyr...) Show SMILES CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccccc1 Show InChI InChI=1S/C21H24N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity to 5-HT2c receptor (unknown origin)				J Med Chem 61: 8475-8503 (2018) Article DOI: 10.1021/acs.jmedchem.7b01898 BindingDB Entry DOI: 10.7270/Q2V98BPM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50305263 (2,8-Dimethyl-5-phenethyl-2,3,4,5-tetrahydro-1H-pyr...) Show SMILES CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccccc1 Show InChI InChI=1S/C21H24N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity to 5-HT2A receptor (unknown origin)				J Med Chem 61: 8475-8503 (2018) Article DOI: 10.1021/acs.jmedchem.7b01898 BindingDB Entry DOI: 10.7270/Q2V98BPM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50305263 (2,8-Dimethyl-5-phenethyl-2,3,4,5-tetrahydro-1H-pyr...) Show SMILES CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccccc1 Show InChI InChI=1S/C21H24N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity to 5-HT6 receptor (unknown origin)				J Med Chem 61: 8475-8503 (2018) Article DOI: 10.1021/acs.jmedchem.7b01898 BindingDB Entry DOI: 10.7270/Q2V98BPM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50305263 (2,8-Dimethyl-5-phenethyl-2,3,4,5-tetrahydro-1H-pyr...) Show SMILES CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccccc1 Show InChI InChI=1S/C21H24N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells				J Med Chem 57: 7160-81 (2014) Article DOI: 10.1021/jm5003952 BindingDB Entry DOI: 10.7270/Q2X92CZZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50305263 (2,8-Dimethyl-5-phenethyl-2,3,4,5-tetrahydro-1H-pyr...) Show SMILES CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccccc1 Show InChI InChI=1S/C21H24N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Displacement of [3H]lysergic acid from 5-HT7 receptor (unknown origin)				J Med Chem 61: 8475-8503 (2018) Article DOI: 10.1021/acs.jmedchem.7b01898 BindingDB Entry DOI: 10.7270/Q2V98BPM
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50305263 (2,8-Dimethyl-5-phenethyl-2,3,4,5-tetrahydro-1H-pyr...) Show SMILES CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccccc1 Show InChI InChI=1S/C21H24N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute Curated by ChEMBL					Assay Description Antagonist activity at histamine H1 receptor in human SK-N-SH cells assessed as histamine-induced maximum intracellular calcium spike at phase 1 trea...				Bioorg Med Chem Lett 20: 78-82 (2010) Article DOI: 10.1016/j.bmcl.2009.11.037 BindingDB Entry DOI: 10.7270/Q25Q4W6C
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50305263 (2,8-Dimethyl-5-phenethyl-2,3,4,5-tetrahydro-1H-pyr...) Show SMILES CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccccc1 Show InChI InChI=1S/C21H24N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute Curated by ChEMBL					Assay Description Antagonist activity at histamine H1 receptor in human SK-N-SH cells assessed as reduction of histamine-induced intracellular calcium spike at phase 2...				Bioorg Med Chem Lett 20: 78-82 (2010) Article DOI: 10.1016/j.bmcl.2009.11.037 BindingDB Entry DOI: 10.7270/Q25Q4W6C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50305263 (2,8-Dimethyl-5-phenethyl-2,3,4,5-tetrahydro-1H-pyr...) Show SMILES CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccccc1 Show InChI InChI=1S/C21H24N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5HT6 receptor expressed in HEK-293 cells assessed as inhibition of serotonin-induced increase in intracellul...				Bioorg Med Chem Lett 20: 78-82 (2010) Article DOI: 10.1016/j.bmcl.2009.11.037 BindingDB Entry DOI: 10.7270/Q25Q4W6C
					More data for this Ligand-Target Pair