BDBM50064172 1-benzylspiro[hexahydropyridine-4,2'-(3',4'-dihydro-2'H-thiochromene)]::CHEMBL39900::SPIPETHIANE

SMILES: C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1

InChI Key: InChIKey=FPSFVONLLBIZFK-UHFFFAOYSA-N

Data: 8 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 10 hits for monomerid = 50064172   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064172 (1-benzylspiro[hexahydropyridine-4,2'-(3',4'-dihydr...) Show SMILES C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1 Show InChI InChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards sigma 1 receptor using [3H]-(+)-pentazocine from guinea pig brain				J Med Chem 41: 1557-60 (1998) Article DOI: 10.1021/jm970740r BindingDB Entry DOI: 10.7270/Q2N29W3Q
					More data for this Ligand-Target Pair
Sigma opioid receptor (RAT)	BDBM50064172 (1-benzylspiro[hexahydropyridine-4,2'-(3',4'-dihydr...) Show SMILES C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1 Show InChI InChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064172 (1-benzylspiro[hexahydropyridine-4,2'-(3',4'-dihydr...) Show SMILES C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1 Show InChI InChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.589	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane				J Med Chem 53: 1261-9 (2010) Article DOI: 10.1021/jm901542q BindingDB Entry DOI: 10.7270/Q28K7B9S
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50064172 (1-benzylspiro[hexahydropyridine-4,2'-(3',4'-dihydr...) Show SMILES C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1 Show InChI InChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		416	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50064172 (1-benzylspiro[hexahydropyridine-4,2'-(3',4'-dihydr...) Show SMILES C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1 Show InChI InChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Alpha-1A adrenergic receptor using [3H]-prazosin from rat submaxillary gland				J Med Chem 41: 1557-60 (1998) Article DOI: 10.1021/jm970740r BindingDB Entry DOI: 10.7270/Q2N29W3Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50064172 (1-benzylspiro[hexahydropyridine-4,2'-(3',4'-dihydr...) Show SMILES C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1 Show InChI InChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Muscarinic acetylcholine receptor M3 using [3H]-NMS from rat submaxillary gland				J Med Chem 41: 1557-60 (1998) Article DOI: 10.1021/jm970740r BindingDB Entry DOI: 10.7270/Q2N29W3Q
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50064172 (1-benzylspiro[hexahydropyridine-4,2'-(3',4'-dihydr...) Show SMILES C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1 Show InChI InChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Alpha-1B adrenergic receptor using [3H]-prazosin from rat liver				J Med Chem 41: 1557-60 (1998) Article DOI: 10.1021/jm970740r BindingDB Entry DOI: 10.7270/Q2N29W3Q
					More data for this Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C) (Rattus norvegicus (Rat))	BDBM50064172 (1-benzylspiro[hexahydropyridine-4,2'-(3',4'-dihydr...) Show SMILES C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1 Show InChI InChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards PCP receptor using [3H]-(+)-NANM in the presence of 5 microM haloperidol from rat brain				J Med Chem 41: 1557-60 (1998) Article DOI: 10.1021/jm970740r BindingDB Entry DOI: 10.7270/Q2N29W3Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50064172 (1-benzylspiro[hexahydropyridine-4,2'-(3',4'-dihydr...) Show SMILES C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1 Show InChI InChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Dopamine receptor D2 using [3H]-spiperone from rat striatum				J Med Chem 41: 1557-60 (1998) Article DOI: 10.1021/jm970740r BindingDB Entry DOI: 10.7270/Q2N29W3Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50064172 (1-benzylspiro[hexahydropyridine-4,2'-(3',4'-dihydr...) Show SMILES C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1 Show InChI InChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Muscarinic acetylcholine receptor M2 using [3H]-NMS from rat heart				J Med Chem 41: 1557-60 (1998) Article DOI: 10.1021/jm970740r BindingDB Entry DOI: 10.7270/Q2N29W3Q
					More data for this Ligand-Target Pair