BDBM50042707 CHEMBL3353900

SMILES: COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1

InChI Key: InChIKey=FQRXUQIAZYDCID-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 = 50042707   

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))	BDBM50042707 (CHEMBL3353900) Show SMILES COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H29N5OS/c1-32-26-7-3-2-6-25(26)30-16-14-29(15-17-30)13-4-5-23-19-31(28-27-23)24-10-8-21(9-11-24)22-12-18-33-20-22/h2-3,6-12,18-20H,4-5,13-17H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of of [3H]8-OH-DPAT from human 5HT1A receptor after 60 mins by filtration binding assay				Bioorg Med Chem Lett 25: 519-23 (2015) Article DOI: 10.1016/j.bmcl.2014.12.023 BindingDB Entry DOI: 10.7270/Q27W6DS9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50042707 (CHEMBL3353900) Show SMILES COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H29N5OS/c1-32-26-7-3-2-6-25(26)30-16-14-29(15-17-30)13-4-5-23-19-31(28-27-23)24-10-8-21(9-11-24)22-12-18-33-20-22/h2-3,6-12,18-20H,4-5,13-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay				Bioorg Med Chem Lett 25: 519-23 (2015) Article DOI: 10.1016/j.bmcl.2014.12.023 BindingDB Entry DOI: 10.7270/Q27W6DS9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50042707 (CHEMBL3353900) Show SMILES COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H29N5OS/c1-32-26-7-3-2-6-25(26)30-16-14-29(15-17-30)13-4-5-23-19-31(28-27-23)24-10-8-21(9-11-24)22-12-18-33-20-22/h2-3,6-12,18-20H,4-5,13-17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of of [125I]-IABN from human D4 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay				Bioorg Med Chem Lett 25: 519-23 (2015) Article DOI: 10.1016/j.bmcl.2014.12.023 BindingDB Entry DOI: 10.7270/Q27W6DS9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50042707 (CHEMBL3353900) Show SMILES COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C26H29N5OS/c1-32-26-7-3-2-6-25(26)30-16-14-29(15-17-30)13-4-5-23-19-31(28-27-23)24-10-8-21(9-11-24)22-12-18-33-20-22/h2-3,6-12,18-20H,4-5,13-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of of [125I]-IABN from human D2 long receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay				Bioorg Med Chem Lett 25: 519-23 (2015) Article DOI: 10.1016/j.bmcl.2014.12.023 BindingDB Entry DOI: 10.7270/Q27W6DS9
					More data for this Ligand-Target Pair