BDBM50042843 CHEMBL3353902

SMILES: COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1

InChI Key: InChIKey=QRCFVXJHTKTGJU-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 = 50042843   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50042843 (CHEMBL3353902) Show SMILES COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C28H33N5OS/c1-34-28-9-5-4-8-27(28)32-18-16-31(17-19-32)15-6-2-3-7-25-21-33(30-29-25)26-12-10-23(11-13-26)24-14-20-35-22-24/h4-5,8-14,20-22H,2-3,6-7,15-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50042843 (CHEMBL3353902) Show SMILES COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C28H33N5OS/c1-34-28-9-5-4-8-27(28)32-18-16-31(17-19-32)15-6-2-3-7-25-21-33(30-29-25)26-12-10-23(11-13-26)24-14-20-35-22-24/h4-5,8-14,20-22H,2-3,6-7,15-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	109	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50042843 (CHEMBL3353902) Show SMILES COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C28H33N5OS/c1-34-28-9-5-4-8-27(28)32-18-16-31(17-19-32)15-6-2-3-7-25-21-33(30-29-25)26-12-10-23(11-13-26)24-14-20-35-22-24/h4-5,8-14,20-22H,2-3,6-7,15-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	153	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(4) dopamine receptor (Homo sapiens (Human))	BDBM50042843 (CHEMBL3353902) Show SMILES COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1 Show InChI InChI=1S/C28H33N5OS/c1-34-28-9-5-4-8-27(28)32-18-16-31(17-19-32)15-6-2-3-7-25-21-33(30-29-25)26-12-10-23(11-13-26)24-14-20-35-22-24/h4-5,8-14,20-22H,2-3,6-7,15-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	163	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