BDBM50210792 CHEMBL3917316

SMILES: C(COc1ccccc1)NCC1CSC2(CCCCC2)S1

InChI Key: InChIKey=IPRUKNODGOFJGL-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 = 50210792   

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 (Homo sapiens (Human))	BDBM50210792 (CHEMBL3917316) Show SMILES C(COc1ccccc1)NCC1CSC2(CCCCC2)S1 Show InChI InChI=1S/C17H25NOS2/c1-3-7-15(8-4-1)19-12-11-18-13-16-14-20-17(21-16)9-5-2-6-10-17/h1,3-4,7-8,16,18H,2,5-6,9-14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HeLa cell membranes after 30 mins by TopCount liquid scintillation ...				Eur J Med Chem 125: 435-452 (2017) Article DOI: 10.1016/j.ejmech.2016.09.050 BindingDB Entry DOI: 10.7270/Q2BG2R46
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50210792 (CHEMBL3917316) Show SMILES C(COc1ccccc1)NCC1CSC2(CCCCC2)S1 Show InChI InChI=1S/C17H25NOS2/c1-3-7-15(8-4-1)19-12-11-18-13-16-14-20-17(21-16)9-5-2-6-10-17/h1,3-4,7-8,16,18H,2,5-6,9-14H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from recombinant human alpha1d adrenergic receptor expressed in CHO cell membranes after 30 mins by TopCount liquid scin...				Eur J Med Chem 125: 435-452 (2017) Article DOI: 10.1016/j.ejmech.2016.09.050 BindingDB Entry DOI: 10.7270/Q2BG2R46
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50210792 (CHEMBL3917316) Show SMILES C(COc1ccccc1)NCC1CSC2(CCCCC2)S1 Show InChI InChI=1S/C17H25NOS2/c1-3-7-15(8-4-1)19-12-11-18-13-16-14-20-17(21-16)9-5-2-6-10-17/h1,3-4,7-8,16,18H,2,5-6,9-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from recombinant human alpha1b adrenergic receptor expressed in CHO cell membranes after 30 mins by TopCount liquid scin...				Eur J Med Chem 125: 435-452 (2017) Article DOI: 10.1016/j.ejmech.2016.09.050 BindingDB Entry DOI: 10.7270/Q2BG2R46
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50210792 (CHEMBL3917316) Show SMILES C(COc1ccccc1)NCC1CSC2(CCCCC2)S1 Show InChI InChI=1S/C17H25NOS2/c1-3-7-15(8-4-1)19-12-11-18-13-16-14-20-17(21-16)9-5-2-6-10-17/h1,3-4,7-8,16,18H,2,5-6,9-14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from recombinant human alpha1a adrenergic receptor expressed in CHO cell membranes after 30 mins by TopCount liquid scin...				Eur J Med Chem 125: 435-452 (2017) Article DOI: 10.1016/j.ejmech.2016.09.050 BindingDB Entry DOI: 10.7270/Q2BG2R46
					More data for this Ligand-Target Pair