BDBM50359954 CHEMBL1927088

SMILES: COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1

InChI Key: InChIKey=QDINHVYVESYLKG-UHFFFAOYSA-N

Data: 5 KI  1 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 6 hits for monomerid = 50359954   

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))	BDBM50359954 (CHEMBL1927088) Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:15.15| Show InChI InChI=1S/C21H26N6O/c1-28-20-9-3-2-8-19(20)27-15-13-26(14-16-27)12-6-11-24-21(25-17-22)18-7-4-5-10-23-18/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting				Eur J Med Chem 47: 520-9 (2012) Article DOI: 10.1016/j.ejmech.2011.11.023 BindingDB Entry DOI: 10.7270/Q29S1RFN
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50359954 (CHEMBL1927088) Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:15.15| Show InChI InChI=1S/C21H26N6O/c1-28-20-9-3-2-8-19(20)27-15-13-26(14-16-27)12-6-11-24-21(25-17-22)18-7-4-5-10-23-18/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from Sprague-Dawley rat brain cortex serotonin 5-HT2C receptor after 15 mins by liquid scintillation counting in pres...				Eur J Med Chem 47: 520-9 (2012) Article DOI: 10.1016/j.ejmech.2011.11.023 BindingDB Entry DOI: 10.7270/Q29S1RFN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50359954 (CHEMBL1927088) Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:15.15| Show InChI InChI=1S/C21H26N6O/c1-28-20-9-3-2-8-19(20)27-15-13-26(14-16-27)12-6-11-24-21(25-17-22)18-7-4-5-10-23-18/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting				Eur J Med Chem 47: 520-9 (2012) Article DOI: 10.1016/j.ejmech.2011.11.023 BindingDB Entry DOI: 10.7270/Q29S1RFN
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50359954 (CHEMBL1927088) Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:15.15| Show InChI InChI=1S/C21H26N6O/c1-28-20-9-3-2-8-19(20)27-15-13-26(14-16-27)12-6-11-24-21(25-17-22)18-7-4-5-10-23-18/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [3H]SCH-23390 from rat corpora striatum dopamine D1 receptor after 15 mins by liquid scintillation counting				Eur J Med Chem 47: 520-9 (2012) Article DOI: 10.1016/j.ejmech.2011.11.023 BindingDB Entry DOI: 10.7270/Q29S1RFN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50359954 (CHEMBL1927088) Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:15.15| Show InChI InChI=1S/C21H26N6O/c1-28-20-9-3-2-8-19(20)27-15-13-26(14-16-27)12-6-11-24-21(25-17-22)18-7-4-5-10-23-18/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat corpora striatum dopamine D2 receptor after 15 mins by liquid scintillation counting				Eur J Med Chem 47: 520-9 (2012) Article DOI: 10.1016/j.ejmech.2011.11.023 BindingDB Entry DOI: 10.7270/Q29S1RFN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50359954 (CHEMBL1927088) Show SMILES COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:15.15| Show InChI InChI=1S/C21H26N6O/c1-28-20-9-3-2-8-19(20)27-15-13-26(14-16-27)12-6-11-24-21(25-17-22)18-7-4-5-10-23-18/h2-5,7-10H,6,11-16H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00212	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting				Eur J Med Chem 47: 520-9 (2012) Article DOI: 10.1016/j.ejmech.2011.11.023 BindingDB Entry DOI: 10.7270/Q29S1RFN
					More data for this Ligand-Target Pair