BindingDB PrimarySearch

BDBM50459713 CHEMBL4213447::US10836764, Compound 176

SMILES: [H][C@]12CCc3c(CC4CCC4)ccnc3N1CCNC2

InChI Key: InChIKey=WDUJNEUBVHIQQH-CQSZACIVSA-N

Data: 3 KI 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50459713
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50459713 (CHEMBL4213447 \| US10836764, Compound 176) Show SMILES [H][C@]12CCc3c(CC4CCC4)ccnc3N1CCNC2 \|r\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50459713 (CHEMBL4213447 \| US10836764, Compound 176) Show SMILES [H][C@]12CCc3c(CC4CCC4)ccnc3N1CCNC2 \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50459713 (CHEMBL4213447 \| US10836764, Compound 176) Show SMILES [H][C@]12CCc3c(CC4CCC4)ccnc3N1CCNC2 \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...				US Patent US10836764 (2020)
Arena Pharmaceuticals, Inc. US Patent					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50459713 (CHEMBL4213447 \| US10836764, Compound 176) Show SMILES [H][C@]12CCc3c(CC4CCC4)ccnc3N1CCNC2 \|r\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	36.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...				US Patent US10836764 (2020)
Arena Pharmaceuticals, Inc. US Patent					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50459713 (CHEMBL4213447 \| US10836764, Compound 176) Show SMILES [H][C@]12CCc3c(CC4CCC4)ccnc3N1CCNC2 \|r\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50459713 (CHEMBL4213447 \| US10836764, Compound 176) Show SMILES [H][C@]12CCc3c(CC4CCC4)ccnc3N1CCNC2 \|r\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	523	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...				US Patent US10836764 (2020)
Arena Pharmaceuticals, Inc. US Patent					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50459713 (CHEMBL4213447 \| US10836764, Compound 176) Show SMILES [H][C@]12CCc3c(CC4CCC4)ccnc3N1CCNC2 \|r\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	165	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Agonist activity at recombinant 5-HT2B receptor (unknown origin) expressed in HEK293 cells assessed as increase in [3H]-inositol phosphate accumulati...				ACS Med Chem Lett 9: 864-865 (2018) Article DOI: 10.1021/acsmedchemlett.8b00328 BindingDB Entry DOI: 10.7270/Q2XS5Z0D
Usona Institute Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50459713 (CHEMBL4213447 \| US10836764, Compound 176) Show SMILES [H][C@]12CCc3c(CC4CCC4)ccnc3N1CCNC2 \|r\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50459713 (CHEMBL4213447 \| US10836764, Compound 176) Show SMILES [H][C@]12CCc3c(CC4CCC4)ccnc3N1CCNC2 \|r\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50459713 (CHEMBL4213447 \| US10836764, Compound 176) Show SMILES [H][C@]12CCc3c(CC4CCC4)ccnc3N1CCNC2 \|r\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	108	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Agonist activity at recombinant 5-HT2C receptor (unknown origin) expressed in HEK293 cells assessed as increase in [3H]-inositol phosphate accumulati...				ACS Med Chem Lett 9: 864-865 (2018) Article DOI: 10.1021/acsmedchemlett.8b00328 BindingDB Entry DOI: 10.7270/Q2XS5Z0D
Usona Institute Curated by ChEMBL					More data for this Ligand-Target Pair