BDBM50039735 3-[(S)-1-(3-Phenyl-propyl)-piperidin-3-yl]-benzonitrile::CHEMBL94811

SMILES: N#Cc1cccc(c1)[C@@H]1CCCN(CCCc2ccccc2)C1

InChI Key: InChIKey=JSFVESKREDQPEC-OAQYLSRUSA-N

Data: 5 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 5 hits for monomerid = 50039735   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50039735 (3-[(S)-1-(3-Phenyl-propyl)-piperidin-3-yl]-benzoni...) Show SMILES N#Cc1cccc(c1)[C@@H]1CCCN(CCCc2ccccc2)C1 Show InChI InChI=1S/C21H24N2/c22-16-19-9-4-11-20(15-19)21-12-6-14-23(17-21)13-5-10-18-7-2-1-3-8-18/h1-4,7-9,11,15,21H,5-6,10,12-14,17H2/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of G£teborg Curated by ChEMBL					Assay Description In vitro binding affinity against cloned mammalian dopamine D2 autoreceptor, expressed in CHO-K1 cells, using [3H]U-86170 as radioligand				J Med Chem 37: 2735-53 (1994) BindingDB Entry DOI: 10.7270/Q2J96719
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50039735 (3-[(S)-1-(3-Phenyl-propyl)-piperidin-3-yl]-benzoni...) Show SMILES N#Cc1cccc(c1)[C@@H]1CCCN(CCCc2ccccc2)C1 Show InChI InChI=1S/C21H24N2/c22-16-19-9-4-11-20(15-19)21-12-6-14-23(17-21)13-5-10-18-7-2-1-3-8-18/h1-4,7-9,11,15,21H,5-6,10,12-14,17H2/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of G£teborg Curated by ChEMBL					Assay Description Tested for in vitro binding affinity against cloned mammalian dopamine D3 receptor, expressed in CHO-K1 cells, using [3H]spiperone as radioligand				J Med Chem 37: 2735-53 (1994) BindingDB Entry DOI: 10.7270/Q2J96719
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50039735 (3-[(S)-1-(3-Phenyl-propyl)-piperidin-3-yl]-benzoni...) Show SMILES N#Cc1cccc(c1)[C@@H]1CCCN(CCCc2ccccc2)C1 Show InChI InChI=1S/C21H24N2/c22-16-19-9-4-11-20(15-19)21-12-6-14-23(17-21)13-5-10-18-7-2-1-3-8-18/h1-4,7-9,11,15,21H,5-6,10,12-14,17H2/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of G£teborg Curated by ChEMBL					Assay Description Affinity against recombinant dopamine receptor (DA) D2 expressed in CHO-K1 cells, using [3H]-spiperone as radioligand				J Med Chem 37: 2735-53 (1994) BindingDB Entry DOI: 10.7270/Q2J96719
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50039735 (3-[(S)-1-(3-Phenyl-propyl)-piperidin-3-yl]-benzoni...) Show SMILES N#Cc1cccc(c1)[C@@H]1CCCN(CCCc2ccccc2)C1 Show InChI InChI=1S/C21H24N2/c22-16-19-9-4-11-20(15-19)21-12-6-14-23(17-21)13-5-10-18-7-2-1-3-8-18/h1-4,7-9,11,15,21H,5-6,10,12-14,17H2/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of G£teborg Curated by ChEMBL					Assay Description Affinity against striatal dopamine D2 receptors using [3H]spiperone as radioligand in rats.				J Med Chem 37: 2735-53 (1994) BindingDB Entry DOI: 10.7270/Q2J96719
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50039735 (3-[(S)-1-(3-Phenyl-propyl)-piperidin-3-yl]-benzoni...) Show SMILES N#Cc1cccc(c1)[C@@H]1CCCN(CCCc2ccccc2)C1 Show InChI InChI=1S/C21H24N2/c22-16-19-9-4-11-20(15-19)21-12-6-14-23(17-21)13-5-10-18-7-2-1-3-8-18/h1-4,7-9,11,15,21H,5-6,10,12-14,17H2/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of G£teborg Curated by ChEMBL					Assay Description Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in homogenized rat brain tissue				J Med Chem 37: 2735-53 (1994) BindingDB Entry DOI: 10.7270/Q2J96719
					More data for this Ligand-Target Pair