BDBM50039763 3-[(S)-1-(2-Ethyl-thiophen-3-yl)-piperidin-3-yl]-benzonitrile::CHEMBL93570

SMILES: CCc1sccc1N1CCC[C@H](C1)c1cccc(c1)C#N

InChI Key: InChIKey=FLHNFXPLCFJIDJ-MRXNPFEDSA-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 = 50039763   

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))	BDBM50039763 (3-[(S)-1-(2-Ethyl-thiophen-3-yl)-piperidin-3-yl]-b...) Show SMILES CCc1sccc1N1CCC[C@H](C1)c1cccc(c1)C#N Show InChI InChI=1S/C18H20N2S/c1-2-18-17(8-10-21-18)20-9-4-7-16(13-20)15-6-3-5-14(11-15)12-19/h3,5-6,8,10-11,16H,2,4,7,9,13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	11	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))	BDBM50039763 (3-[(S)-1-(2-Ethyl-thiophen-3-yl)-piperidin-3-yl]-b...) Show SMILES CCc1sccc1N1CCC[C@H](C1)c1cccc(c1)C#N Show InChI InChI=1S/C18H20N2S/c1-2-18-17(8-10-21-18)20-9-4-7-16(13-20)15-6-3-5-14(11-15)12-19/h3,5-6,8,10-11,16H,2,4,7,9,13H2,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	56	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 (Rattus norvegicus (rat))	BDBM50039763 (3-[(S)-1-(2-Ethyl-thiophen-3-yl)-piperidin-3-yl]-b...) Show SMILES CCc1sccc1N1CCC[C@H](C1)c1cccc(c1)C#N Show InChI InChI=1S/C18H20N2S/c1-2-18-17(8-10-21-18)20-9-4-7-16(13-20)15-6-3-5-14(11-15)12-19/h3,5-6,8,10-11,16H,2,4,7,9,13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	102	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50039763 (3-[(S)-1-(2-Ethyl-thiophen-3-yl)-piperidin-3-yl]-b...) Show SMILES CCc1sccc1N1CCC[C@H](C1)c1cccc(c1)C#N Show InChI InChI=1S/C18H20N2S/c1-2-18-17(8-10-21-18)20-9-4-7-16(13-20)15-6-3-5-14(11-15)12-19/h3,5-6,8,10-11,16H,2,4,7,9,13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	134	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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50039763 (3-[(S)-1-(2-Ethyl-thiophen-3-yl)-piperidin-3-yl]-b...) Show SMILES CCc1sccc1N1CCC[C@H](C1)c1cccc(c1)C#N Show InChI InChI=1S/C18H20N2S/c1-2-18-17(8-10-21-18)20-9-4-7-16(13-20)15-6-3-5-14(11-15)12-19/h3,5-6,8,10-11,16H,2,4,7,9,13H2,1H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	320	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