BDBM50409515 CHEMBL110948::QF-0610B

SMILES: Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3sccc3C2=O)CC1

InChI Key: InChIKey=YXDUNIOKKMVMKO-UHFFFAOYSA-N

Data: 5 KI  2 Kd

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 7 hits for monomerid = 50409515   

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 (Rattus norvegicus (rat))	BDBM50409515 (CHEMBL110948 | QF-0610B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3sccc3C2=O)CC1 Show InChI InChI=1S/C22H23FN2O2S/c23-16-2-3-17-19(13-16)27-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-20-18(22(15)26)8-12-28-20/h2-3,8,12-15H,1,4-7,9-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago Curated by ChEMBL					Assay Description Compound was tested in vitro for its binding affinity towards 5-hydroxytryptamine 2A receptor from rat frontal cortex using [3H]-ketanserin as radiol...				J Med Chem 42: 2774-97 (1999) Article DOI: 10.1021/jm981094e BindingDB Entry DOI: 10.7270/Q2BG2RR8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50409515 (CHEMBL110948 | QF-0610B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3sccc3C2=O)CC1 Show InChI InChI=1S/C22H23FN2O2S/c23-16-2-3-17-19(13-16)27-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-20-18(22(15)26)8-12-28-20/h2-3,8,12-15H,1,4-7,9-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Kinetic inhibition constant evaluated by measuring serotonergic activity				J Med Chem 43: 3233-43 (2000) Article DOI: 10.1021/jm000941m BindingDB Entry DOI: 10.7270/Q2QJ7M2N
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50409515 (CHEMBL110948 | QF-0610B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3sccc3C2=O)CC1 Show InChI InChI=1S/C22H23FN2O2S/c23-16-2-3-17-19(13-16)27-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-20-18(22(15)26)8-12-28-20/h2-3,8,12-15H,1,4-7,9-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago Curated by ChEMBL					Assay Description In vitro ability to displace [3H]spiperone binding from dopamine receptor D2 in rat striatal membrane.				J Med Chem 42: 2774-97 (1999) Article DOI: 10.1021/jm981094e BindingDB Entry DOI: 10.7270/Q2BG2RR8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50409515 (CHEMBL110948 | QF-0610B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3sccc3C2=O)CC1 Show InChI InChI=1S/C22H23FN2O2S/c23-16-2-3-17-19(13-16)27-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-20-18(22(15)26)8-12-28-20/h2-3,8,12-15H,1,4-7,9-11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago Curated by ChEMBL					Assay Description In vitro ability to displace [3H]mesulergine binding from 5-hydroxytryptamine 2C receptor from bovine choroid plexus.				J Med Chem 42: 2774-97 (1999) Article DOI: 10.1021/jm981094e BindingDB Entry DOI: 10.7270/Q2BG2RR8
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50409515 (CHEMBL110948 | QF-0610B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3sccc3C2=O)CC1 Show InChI InChI=1S/C22H23FN2O2S/c23-16-2-3-17-19(13-16)27-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-20-18(22(15)26)8-12-28-20/h2-3,8,12-15H,1,4-7,9-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago Curated by ChEMBL					Assay Description In vitro ability to displace [3H]SCH-23390 binding from Dopamine 1 (D1) receptor in rat striatal membrane.				J Med Chem 42: 2774-97 (1999) Article DOI: 10.1021/jm981094e BindingDB Entry DOI: 10.7270/Q2BG2RR8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50409515 (CHEMBL110948 | QF-0610B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3sccc3C2=O)CC1 Show InChI InChI=1S/C22H23FN2O2S/c23-16-2-3-17-19(13-16)27-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-20-18(22(15)26)8-12-28-20/h2-3,8,12-15H,1,4-7,9-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.135	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta				J Med Chem 45: 54-71 (2001) BindingDB Entry DOI: 10.7270/Q2KD204K
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B) (RAT)	BDBM50409515 (CHEMBL110948 | QF-0610B) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3sccc3C2=O)CC1 Show InChI InChI=1S/C22H23FN2O2S/c23-16-2-3-17-19(13-16)27-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-20-18(22(15)26)8-12-28-20/h2-3,8,12-15H,1,4-7,9-11H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	589	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Negative log concentration of antagonist was determined on 5-hydroxytryptamine 2B receptor of Rat stomach fundus				J Med Chem 45: 54-71 (2001) BindingDB Entry DOI: 10.7270/Q2KD204K
					More data for this Ligand-Target Pair