BDBM50039778 3-((S)-1-sec-Butyl-piperidin-3-yl)-benzonitrile::CHEMBL413483

SMILES: CCC(C)N1CCC[C@H](C1)c1cccc(c1)C#N

InChI Key: InChIKey=TYYIXERJKMDZBL-FQNRMIAFSA-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 = 50039778   

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))	BDBM50039778 (3-((S)-1-sec-Butyl-piperidin-3-yl)-benzonitrile | ...) Show SMILES CCC(C)N1CCC[C@H](C1)c1cccc(c1)C#N Show InChI InChI=1S/C16H22N2/c1-3-13(2)18-9-5-8-16(12-18)15-7-4-6-14(10-15)11-17/h4,6-7,10,13,16H,3,5,8-9,12H2,1-2H3/t13?,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	98	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(3) dopamine receptor (Homo sapiens (Human))	BDBM50039778 (3-((S)-1-sec-Butyl-piperidin-3-yl)-benzonitrile | ...) Show SMILES CCC(C)N1CCC[C@H](C1)c1cccc(c1)C#N Show InChI InChI=1S/C16H22N2/c1-3-13(2)18-9-5-8-16(12-18)15-7-4-6-14(10-15)11-17/h4,6-7,10,13,16H,3,5,8-9,12H2,1-2H3/t13?,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	105	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))	BDBM50039778 (3-((S)-1-sec-Butyl-piperidin-3-yl)-benzonitrile | ...) Show SMILES CCC(C)N1CCC[C@H](C1)c1cccc(c1)C#N Show InChI InChI=1S/C16H22N2/c1-3-13(2)18-9-5-8-16(12-18)15-7-4-6-14(10-15)11-17/h4,6-7,10,13,16H,3,5,8-9,12H2,1-2H3/t13?,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	187	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(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50039778 (3-((S)-1-sec-Butyl-piperidin-3-yl)-benzonitrile | ...) Show SMILES CCC(C)N1CCC[C@H](C1)c1cccc(c1)C#N Show InChI InChI=1S/C16H22N2/c1-3-13(2)18-9-5-8-16(12-18)15-7-4-6-14(10-15)11-17/h4,6-7,10,13,16H,3,5,8-9,12H2,1-2H3/t13?,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.05E+3	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))	BDBM50039778 (3-((S)-1-sec-Butyl-piperidin-3-yl)-benzonitrile | ...) Show SMILES CCC(C)N1CCC[C@H](C1)c1cccc(c1)C#N Show InChI InChI=1S/C16H22N2/c1-3-13(2)18-9-5-8-16(12-18)15-7-4-6-14(10-15)11-17/h4,6-7,10,13,16H,3,5,8-9,12H2,1-2H3/t13?,16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.07E+3	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