BDBM50499872 CHEMBL3740474

SMILES: OC(=O)C(F)(F)F.CCCN(CCN1CCN(Cc2c[nH]c3ccc(OC)cc23)CC1)C1CCc2nc(N)sc2C1

InChI Key: InChIKey=PWNHFSBIYOLUKO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50499872   

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 (Rattus norvegicus (Rat))	BDBM50499872 (CHEMBL3740474) Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(Cc2c[nH]c3ccc(OC)cc23)CC1)C1CCc2nc(N)sc2C1 Show InChI InChI=1S/C26H38N6OS.C2HF3O2/c1-3-8-32(20-4-6-24-25(15-20)34-26(27)29-24)14-13-30-9-11-31(12-10-30)18-19-17-28-23-7-5-21(33-2)16-22(19)23;3-2(4,5)1(6)7/h5,7,16-17,20,28H,3-4,6,8-15,18H2,1-2H3,(H2,27,29);(H,6,7)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis				J Med Chem 58: 9179-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01031 BindingDB Entry DOI: 10.7270/Q2N019HB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50499872 (CHEMBL3740474) Show SMILES OC(=O)C(F)(F)F.CCCN(CCN1CCN(Cc2c[nH]c3ccc(OC)cc23)CC1)C1CCc2nc(N)sc2C1 Show InChI InChI=1S/C26H38N6OS.C2HF3O2/c1-3-8-32(20-4-6-24-25(15-20)34-26(27)29-24)14-13-30-9-11-31(12-10-30)18-19-17-28-23-7-5-21(33-2)16-22(19)23;3-2(4,5)1(6)7/h5,7,16-17,20,28H,3-4,6,8-15,18H2,1-2H3,(H2,27,29);(H,6,7)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]Spiroperidol from cloned rat dopamine D2L receptor expressed in HEK293 cells by liquid scintillation counting analysis				J Med Chem 58: 9179-95 (2015) Article DOI: 10.1021/acs.jmedchem.5b01031 BindingDB Entry DOI: 10.7270/Q2N019HB
					More data for this Ligand-Target Pair