BDBM50492426 CHEMBL2401931

SMILES: Cl.COc1ccc2c(c1)oc1c(CN3CCN(CC3)c3ccccc3OC)cccc1c2=O

InChI Key: InChIKey=SKACYVHOKYLXGO-UHFFFAOYSA-N

Data: 6 KI

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 = 50492426   

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 1A (Homo sapiens (Human))	BDBM50492426 (CHEMBL2401931) Show SMILES Cl.COc1ccc2c(c1)oc1c(CN3CCN(CC3)c3ccccc3OC)cccc1c2=O Show InChI InChI=1S/C26H26N2O4/c1-30-19-10-11-20-24(16-19)32-26-18(6-5-7-21(26)25(20)29)17-27-12-14-28(15-13-27)22-8-3-4-9-23(22)31-2/h3-11,16H,12-15,17H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr				Bioorg Med Chem Lett 23: 4419-23 (2013) Article DOI: 10.1016/j.bmcl.2013.05.062 BindingDB Entry DOI: 10.7270/Q2SX6H5S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50492426 (CHEMBL2401931) Show SMILES Cl.COc1ccc2c(c1)oc1c(CN3CCN(CC3)c3ccccc3OC)cccc1c2=O Show InChI InChI=1S/C26H26N2O4/c1-30-19-10-11-20-24(16-19)32-26-18(6-5-7-21(26)25(20)29)17-27-12-14-28(15-13-27)22-8-3-4-9-23(22)31-2/h3-11,16H,12-15,17H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT1A receptor expressed in CHO-K1 cells co-expressing aequorin incubated for 1 hr measured for 30 secs in presence of ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126679
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50492426 (CHEMBL2401931) Show SMILES Cl.COc1ccc2c(c1)oc1c(CN3CCN(CC3)c3ccccc3OC)cccc1c2=O Show InChI InChI=1S/C26H26N2O4/c1-30-19-10-11-20-24(16-19)32-26-18(6-5-7-21(26)25(20)29)17-27-12-14-28(15-13-27)22-8-3-4-9-23(22)31-2/h3-11,16H,12-15,17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha1-adrenergic receptor in rat cerebral cortex after 30 mins by scintillation counting				Bioorg Med Chem Lett 23: 4419-23 (2013) Article DOI: 10.1016/j.bmcl.2013.05.062 BindingDB Entry DOI: 10.7270/Q2SX6H5S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50492426 (CHEMBL2401931) Show SMILES Cl.COc1ccc2c(c1)oc1c(CN3CCN(CC3)c3ccccc3OC)cccc1c2=O Show InChI InChI=1S/C26H26N2O4/c1-30-19-10-11-20-24(16-19)32-26-18(6-5-7-21(26)25(20)29)17-27-12-14-28(15-13-27)22-8-3-4-9-23(22)31-2/h3-11,16H,12-15,17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]5-CT from human 5HT7b receptor expressed in HEK293 cells after 1 hr				Bioorg Med Chem Lett 23: 4419-23 (2013) Article DOI: 10.1016/j.bmcl.2013.05.062 BindingDB Entry DOI: 10.7270/Q2SX6H5S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50492426 (CHEMBL2401931) Show SMILES Cl.COc1ccc2c(c1)oc1c(CN3CCN(CC3)c3ccccc3OC)cccc1c2=O Show InChI InChI=1S/C26H26N2O4/c1-30-19-10-11-20-24(16-19)32-26-18(6-5-7-21(26)25(20)29)17-27-12-14-28(15-13-27)22-8-3-4-9-23(22)31-2/h3-11,16H,12-15,17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting analy...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126679
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50492426 (CHEMBL2401931) Show SMILES Cl.COc1ccc2c(c1)oc1c(CN3CCN(CC3)c3ccccc3OC)cccc1c2=O Show InChI InChI=1S/C26H26N2O4/c1-30-19-10-11-20-24(16-19)32-26-18(6-5-7-21(26)25(20)29)17-27-12-14-28(15-13-27)22-8-3-4-9-23(22)31-2/h3-11,16H,12-15,17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1 hr				Bioorg Med Chem Lett 23: 4419-23 (2013) Article DOI: 10.1016/j.bmcl.2013.05.062 BindingDB Entry DOI: 10.7270/Q2SX6H5S
					More data for this Ligand-Target Pair