BDBM50301634 7-Phenyl-8-[3-(N4-2'-methoxyphenyl)-piperazin-N1-yl-propyl]-1,3-dimethyl-(1H,8H)-imidazo[2,1-f]purine-2,4-dione::CHEMBL565405

SMILES: COc1ccccc1N1CCN(CCCn2c(cn3c2nc2n(C)c(=O)n(C)c(=O)c32)-c2ccccc2)CC1

InChI Key: InChIKey=IFNDRFYBHSYWBF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50301634   

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 (Rattus norvegicus (rat))	BDBM50301634 (7-Phenyl-8-[3-(N4-2'-methoxyphenyl)-piperazin-N1-y...) Show SMILES COc1ccccc1N1CCN(CCCn2c(cn3c2nc2n(C)c(=O)n(C)c(=O)c32)-c2ccccc2)CC1 Show InChI InChI=1S/C29H33N7O3/c1-31-26-25(27(37)32(2)29(31)38)36-20-23(21-10-5-4-6-11-21)35(28(36)30-26)15-9-14-33-16-18-34(19-17-33)22-12-7-8-13-24(22)39-3/h4-8,10-13,20H,9,14-19H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	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 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting				Eur J Med Chem 44: 4288-96 (2009) Article DOI: 10.1016/j.ejmech.2009.07.014 BindingDB Entry DOI: 10.7270/Q2C53KWK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50301634 (7-Phenyl-8-[3-(N4-2'-methoxyphenyl)-piperazin-N1-y...) Show SMILES COc1ccccc1N1CCN(CCCn2c(cn3c2nc2n(C)c(=O)n(C)c(=O)c32)-c2ccccc2)CC1 Show InChI InChI=1S/C29H33N7O3/c1-31-26-25(27(37)32(2)29(31)38)36-20-23(21-10-5-4-6-11-21)35(28(36)30-26)15-9-14-33-16-18-34(19-17-33)22-12-7-8-13-24(22)39-3/h4-8,10-13,20H,9,14-19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	143	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]spiperone from dopamine D2 receptor in rat striatum membrane after 30 mins by liquid scintillation counting				Eur J Med Chem 44: 4288-96 (2009) Article DOI: 10.1016/j.ejmech.2009.07.014 BindingDB Entry DOI: 10.7270/Q2C53KWK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50301634 (7-Phenyl-8-[3-(N4-2'-methoxyphenyl)-piperazin-N1-y...) Show SMILES COc1ccccc1N1CCN(CCCn2c(cn3c2nc2n(C)c(=O)n(C)c(=O)c32)-c2ccccc2)CC1 Show InChI InChI=1S/C29H33N7O3/c1-31-26-25(27(37)32(2)29(31)38)36-20-23(21-10-5-4-6-11-21)35(28(36)30-26)15-9-14-33-16-18-34(19-17-33)22-12-7-8-13-24(22)39-3/h4-8,10-13,20H,9,14-19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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 5HT2A receptor in rat cerebral cortex after 20 mins by liquid scintillation counting				Eur J Med Chem 44: 4288-96 (2009) Article DOI: 10.1016/j.ejmech.2009.07.014 BindingDB Entry DOI: 10.7270/Q2C53KWK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50301634 (7-Phenyl-8-[3-(N4-2'-methoxyphenyl)-piperazin-N1-y...) Show SMILES COc1ccccc1N1CCN(CCCn2c(cn3c2nc2n(C)c(=O)n(C)c(=O)c32)-c2ccccc2)CC1 Show InChI InChI=1S/C29H33N7O3/c1-31-26-25(27(37)32(2)29(31)38)36-20-23(21-10-5-4-6-11-21)35(28(36)30-26)15-9-14-33-16-18-34(19-17-33)22-12-7-8-13-24(22)39-3/h4-8,10-13,20H,9,14-19H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.04E+4	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]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis				Med Chem Res 21: 3455-3459 (2012) Article DOI: 10.1007/s00044-011-9883-y BindingDB Entry DOI: 10.7270/Q23B630H
					More data for this Ligand-Target Pair