BDBM82564 CAS_132787::NSC_132787::S 15535

SMILES: C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12

InChI Key: InChIKey=QJPPEMXOOWNICQ-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 82564   

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))	BDBM82564 (CAS_132787 | NSC_132787 | S 15535) Show SMILES C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Binding affinity at human 5-hydroxytryptamine 1A receptor by inhibition of [3H]8-OH-DPAT binding in Chinese hamster ovary cell line				J Med Chem 45: 165-76 (2002) Article DOI: 10.1021/jm010975+ BindingDB Entry DOI: 10.7270/Q25D8VK9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM82564 (CAS_132787 | NSC_132787 | S 15535) Show SMILES C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 337-52 (1994) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2H130HG
					More data for this Ligand-Target Pair
HTR1A (pigeon)	BDBM82564 (CAS_132787 | NSC_132787 | S 15535) Show SMILES C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNS-Pharmacology Curated by PDSP Ki Database									Eur J Pharmacol 325: 145-53 (1997) Article DOI: 10.1016/s0014-2999(97)00131-3 BindingDB Entry DOI: 10.7270/Q2319TDM
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM82564 (CAS_132787 | NSC_132787 | S 15535) Show SMILES C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Binding affinity at Alpha-1 adrenergic receptor by inhibition of [3H]-prazosin binding to rat cortex				J Med Chem 45: 165-76 (2002) Article DOI: 10.1021/jm010975+ BindingDB Entry DOI: 10.7270/Q25D8VK9
					More data for this Ligand-Target Pair
DRD2 (pigeon)	BDBM82564 (CAS_132787 | NSC_132787 | S 15535) Show SMILES C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNS-Pharmacology Curated by PDSP Ki Database									Eur J Pharmacol 325: 145-53 (1997) Article DOI: 10.1016/s0014-2999(97)00131-3 BindingDB Entry DOI: 10.7270/Q2319TDM
					More data for this Ligand-Target Pair
adrenergic Alpha1 (pigeon)	BDBM82564 (CAS_132787 | NSC_132787 | S 15535) Show SMILES C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNS-Pharmacology Curated by PDSP Ki Database									Eur J Pharmacol 325: 145-53 (1997) Article DOI: 10.1016/s0014-2999(97)00131-3 BindingDB Entry DOI: 10.7270/Q2319TDM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM82564 (CAS_132787 | NSC_132787 | S 15535) Show SMILES C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 337-52 (1994) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2H130HG
					More data for this Ligand-Target Pair
HTR2C (PIG)	BDBM82564 (CAS_132787 | NSC_132787 | S 15535) Show SMILES C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 337-52 (1994) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2H130HG
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (RAT)	BDBM82564 (CAS_132787 | NSC_132787 | S 15535) Show SMILES C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 337-52 (1994) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2H130HG
					More data for this Ligand-Target Pair
Serotonin 1B/1D receptor (Rattus norvegicus (Rat))	BDBM82564 (CAS_132787 | NSC_132787 | S 15535) Show SMILES C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 337-52 (1994) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2H130HG
					More data for this Ligand-Target Pair
Serotonin 1B/1D receptor (Rattus norvegicus (Rat))	BDBM82564 (CAS_132787 | NSC_132787 | S 15535) Show SMILES C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1B receptor				J Med Chem 38: 4044-55 (1995) BindingDB Entry DOI: 10.7270/Q2KP83C0
					More data for this Ligand-Target Pair