BDBM50408174 CHEMBL300725

SMILES: COc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2n1

InChI Key: InChIKey=SXXANLLRNHHDSR-UHFFFAOYSA-N

Data: 6 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 = 50408174   

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
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor (Homo sapiens (Human))	BDBM50408174 (CHEMBL300725) Show SMILES COc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2n1 Show InChI InChI=1S/C22H23N5O/c1-28-20-10-9-18-21(24-20)27-11-5-8-19(27)22(23-18)26-14-12-25(13-15-26)16-17-6-3-2-4-7-17/h2-11H,12-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 receptor was measured using [3H]granisetron as radioligand				J Med Chem 40: 1808-19 (1997) Article DOI: 10.1021/jm960501o BindingDB Entry DOI: 10.7270/Q20R9QMC
					More data for this Ligand-Target Pair
Serotonin 1d (5-HT1d) receptor (Sus scrofa)	BDBM50408174 (CHEMBL300725) Show SMILES COc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2n1 Show InChI InChI=1S/C22H23N5O/c1-28-20-10-9-18-21(24-20)27-11-5-8-19(27)22(23-18)26-14-12-25(13-15-26)16-17-6-3-2-4-7-17/h2-11H,12-16H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1D receptor was measured using [3H]5-HT as radioligand				J Med Chem 40: 1808-19 (1997) Article DOI: 10.1021/jm960501o BindingDB Entry DOI: 10.7270/Q20R9QMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50408174 (CHEMBL300725) Show SMILES COc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2n1 Show InChI InChI=1S/C22H23N5O/c1-28-20-10-9-18-21(24-20)27-11-5-8-19(27)22(23-18)26-14-12-25(13-15-26)16-17-6-3-2-4-7-17/h2-11H,12-16H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor was measured using [3H]8-OH-DPAT as radioligand				J Med Chem 40: 1808-19 (1997) Article DOI: 10.1021/jm960501o BindingDB Entry DOI: 10.7270/Q20R9QMC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50408174 (CHEMBL300725) Show SMILES COc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2n1 Show InChI InChI=1S/C22H23N5O/c1-28-20-10-9-18-21(24-20)27-11-5-8-19(27)22(23-18)26-14-12-25(13-15-26)16-17-6-3-2-4-7-17/h2-11H,12-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity against 5-Hydroxytryptamine 2C Receptor was measured using [3H]N-methyl-mesulergine as radioligand				J Med Chem 40: 1808-19 (1997) Article DOI: 10.1021/jm960501o BindingDB Entry DOI: 10.7270/Q20R9QMC
					More data for this Ligand-Target Pair
Serotonin 2a (5-HT2a) receptor (BOVINE)	BDBM50408174 (CHEMBL300725) Show SMILES COc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2n1 Show InChI InChI=1S/C22H23N5O/c1-28-20-10-9-18-21(24-20)27-11-5-8-19(27)22(23-18)26-14-12-25(13-15-26)16-17-6-3-2-4-7-17/h2-11H,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2A receptor was measured using [3H]ketanserin as radioligand				J Med Chem 40: 1808-19 (1997) Article DOI: 10.1021/jm960501o BindingDB Entry DOI: 10.7270/Q20R9QMC
					More data for this Ligand-Target Pair
Serotonin 1B/1D receptor (Rattus norvegicus (Rat))	BDBM50408174 (CHEMBL300725) Show SMILES COc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2n1 Show InChI InChI=1S/C22H23N5O/c1-28-20-10-9-18-21(24-20)27-11-5-8-19(27)22(23-18)26-14-12-25(13-15-26)16-17-6-3-2-4-7-17/h2-11H,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Caen Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1B receptor was measured using [3H]5-HT as radioligand				J Med Chem 40: 1808-19 (1997) Article DOI: 10.1021/jm960501o BindingDB Entry DOI: 10.7270/Q20R9QMC
					More data for this Ligand-Target Pair