BDBM50382302 CHEMBL2024516

SMILES: CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1

InChI Key: InChIKey=MXIKBLWWYRRRQW-QAQDUYKDSA-N

Data: 2 IC50

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 = 50382302   

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(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50382302 (CHEMBL2024516) Show SMILES CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:5.4,wD:8.8,(-5.5,-6.61,;-4.16,-7.38,;-2.83,-6.61,;-2.83,-5.07,;-1.5,-7.38,;-.16,-6.61,;-.16,-5.07,;1.17,-4.29,;2.49,-5.07,;3.83,-4.31,;5.16,-5.08,;6.5,-4.31,;7.82,-5.09,;9.16,-4.33,;9.17,-2.79,;7.84,-2.01,;6.49,-2.78,;10.5,-2.02,;11.85,-2.77,;13.18,-1.97,;13.14,-.43,;11.8,.31,;11.77,1.85,;10.48,-.49,;9.13,.26,;2.49,-6.61,;1.17,-7.37,)| Show InChI InChI=1S/C21H31Cl2N3O/c1-2-20(27)24-17-8-6-16(7-9-17)10-11-25-12-14-26(15-13-25)19-5-3-4-18(22)21(19)23/h3-5,16-17H,2,6-15H2,1H3,(H,24,27)/t16-,17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes				Bioorg Med Chem Lett 22: 3437-40 (2012) Article DOI: 10.1016/j.bmcl.2012.03.104 BindingDB Entry DOI: 10.7270/Q2ZW1MZN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50382302 (CHEMBL2024516) Show SMILES CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:5.4,wD:8.8,(-5.5,-6.61,;-4.16,-7.38,;-2.83,-6.61,;-2.83,-5.07,;-1.5,-7.38,;-.16,-6.61,;-.16,-5.07,;1.17,-4.29,;2.49,-5.07,;3.83,-4.31,;5.16,-5.08,;6.5,-4.31,;7.82,-5.09,;9.16,-4.33,;9.17,-2.79,;7.84,-2.01,;6.49,-2.78,;10.5,-2.02,;11.85,-2.77,;13.18,-1.97,;13.14,-.43,;11.8,.31,;11.77,1.85,;10.48,-.49,;9.13,.26,;2.49,-6.61,;1.17,-7.37,)| Show InChI InChI=1S/C21H31Cl2N3O/c1-2-20(27)24-17-8-6-16(7-9-17)10-11-25-12-14-26(15-13-25)19-5-3-4-18(22)21(19)23/h3-5,16-17H,2,6-15H2,1H3,(H,24,27)/t16-,17-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells				Bioorg Med Chem Lett 22: 3437-40 (2012) Article DOI: 10.1016/j.bmcl.2012.03.104 BindingDB Entry DOI: 10.7270/Q2ZW1MZN
					More data for this Ligand-Target Pair