BDBM65513 CPZ analog, 7

SMILES: OC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1

InChI Key: InChIKey=YKOKIGJUJYYSAF-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 2 hits for monomerid = 65513   

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 7 (Homo sapiens (Human))	BDBM65513 (CPZ analog, 7) Show SMILES OC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C20H14ClNO2S/c21-15-9-10-19-17(11-15)22(16-3-1-2-4-18(16)25-19)12-13-5-7-14(8-6-13)20(23)24/h1-11H,12H2,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University					Assay Description Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, ...				ACS Chem Biol 12: 2240-2247 (2017) Article DOI: 10.1021/acschembio.7b00489 BindingDB Entry DOI: 10.7270/Q2DV1H2F
					More data for this Ligand-Target Pair
Proteasome subunit alpha type-6 (Homo sapiens (Human))	BDBM65513 (CPZ analog, 7) Show SMILES OC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C20H14ClNO2S/c21-15-9-10-19-17(11-15)22(16-3-1-2-4-18(16)25-19)12-13-5-7-14(8-6-13)20(23)24/h1-11H,12H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.40E+3	n/a	n/a	7.5	37
Michigan State University					Assay Description Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-w...				ACS Chem Biol 12: 2240-2247 (2017) Article DOI: 10.1021/acschembio.7b00489 BindingDB Entry DOI: 10.7270/Q2DV1H2F
					More data for this Ligand-Target Pair