BDBM50459712 CHEMBL4218374::US10836764, Compound 173

SMILES: [H][C@]12CCc3c(CCC)cncc3N1CCNC2

InChI Key: InChIKey=VYXNIKAQYHJXKC-GFCCVEGCSA-N

Data: 3 KI  2 EC50

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 10 hits for monomerid = 50459712   

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))	BDBM50459712 (CHEMBL4218374 | US10836764, Compound 173) Show SMILES [H][C@]12CCc3c(CCC)cncc3N1CCNC2 |r| Show InChI InChI=1S/C14H21N3/c1-2-3-11-8-16-10-14-13(11)5-4-12-9-15-6-7-17(12)14/h8,10,12,15H,2-7,9H2,1H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.93	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)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50459712 (CHEMBL4218374 | US10836764, Compound 173) Show SMILES [H][C@]12CCc3c(CCC)cncc3N1CCNC2 |r| Show InChI InChI=1S/C14H21N3/c1-2-3-11-8-16-10-14-13(11)5-4-12-9-15-6-7-17(12)14/h8,10,12,15H,2-7,9H2,1H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50459712 (CHEMBL4218374 | US10836764, Compound 173) Show SMILES [H][C@]12CCc3c(CCC)cncc3N1CCNC2 |r| Show InChI InChI=1S/C14H21N3/c1-2-3-11-8-16-10-14-13(11)5-4-12-9-15-6-7-17(12)14/h8,10,12,15H,2-7,9H2,1H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50459712 (CHEMBL4218374 | US10836764, Compound 173) Show SMILES [H][C@]12CCc3c(CCC)cncc3N1CCNC2 |r| Show InChI InChI=1S/C14H21N3/c1-2-3-11-8-16-10-14-13(11)5-4-12-9-15-6-7-17(12)14/h8,10,12,15H,2-7,9H2,1H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44	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)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50459712 (CHEMBL4218374 | US10836764, Compound 173) Show SMILES [H][C@]12CCc3c(CCC)cncc3N1CCNC2 |r| Show InChI InChI=1S/C14H21N3/c1-2-3-11-8-16-10-14-13(11)5-4-12-9-15-6-7-17(12)14/h8,10,12,15H,2-7,9H2,1H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50459712 (CHEMBL4218374 | US10836764, Compound 173) Show SMILES [H][C@]12CCc3c(CCC)cncc3N1CCNC2 |r| Show InChI InChI=1S/C14H21N3/c1-2-3-11-8-16-10-14-13(11)5-4-12-9-15-6-7-17(12)14/h8,10,12,15H,2-7,9H2,1H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	126	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)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50459712 (CHEMBL4218374 | US10836764, Compound 173) Show SMILES [H][C@]12CCc3c(CCC)cncc3N1CCNC2 |r| Show InChI InChI=1S/C14H21N3/c1-2-3-11-8-16-10-14-13(11)5-4-12-9-15-6-7-17(12)14/h8,10,12,15H,2-7,9H2,1H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20	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
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50459712 (CHEMBL4218374 | US10836764, Compound 173) Show SMILES [H][C@]12CCc3c(CCC)cncc3N1CCNC2 |r| Show InChI InChI=1S/C14H21N3/c1-2-3-11-8-16-10-14-13(11)5-4-12-9-15-6-7-17(12)14/h8,10,12,15H,2-7,9H2,1H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50459712 (CHEMBL4218374 | US10836764, Compound 173) Show SMILES [H][C@]12CCc3c(CCC)cncc3N1CCNC2 |r| Show InChI InChI=1S/C14H21N3/c1-2-3-11-8-16-10-14-13(11)5-4-12-9-15-6-7-17(12)14/h8,10,12,15H,2-7,9H2,1H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50459712 (CHEMBL4218374 | US10836764, Compound 173) Show SMILES [H][C@]12CCc3c(CCC)cncc3N1CCNC2 |r| Show InChI InChI=1S/C14H21N3/c1-2-3-11-8-16-10-14-13(11)5-4-12-9-15-6-7-17(12)14/h8,10,12,15H,2-7,9H2,1H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.29E+3	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
					More data for this Ligand-Target Pair