BDBM129716 US8802672, 1

SMILES: CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(C)=O)CC1

InChI Key: InChIKey=URZKYHFMOZUGKN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 129716   

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))	BDBM129716 (US8802672, 1) Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(C)=O)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-10.67,-3.08,;-8,-12.32,;-8,-13.86,)| Show InChI InChI=1S/C19H30Cl2N6O/c1-13(28)23-15-5-3-14(4-6-15)7-8-26-9-11-27(12-10-26)18-16(20)17(21)24-19(22-2)25-18/h14-15H,3-12H2,1-2H3,(H,23,28)(H,22,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Richter Gedeon Nyrt. US Patent					Assay Description Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.4...				US Patent US8802672 (2014) BindingDB Entry DOI: 10.7270/Q2FF3R1T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM129716 (US8802672, 1) Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(C)=O)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-10.67,-3.08,;-8,-12.32,;-8,-13.86,)| Show InChI InChI=1S/C19H30Cl2N6O/c1-13(28)23-15-5-3-14(4-6-15)7-8-26-9-11-27(12-10-26)18-16(20)17(21)24-19(22-2)25-18/h14-15H,3-12H2,1-2H3,(H,23,28)(H,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Richter Gedeon Nyrt. US Patent					Assay Description D2 receptor binding was determined as described by Creese et al. (Eur. J. Pharmacol., 60:55-66, 1979) on rat brain striatal membrane preparation usin...				US Patent US8802672 (2014) BindingDB Entry DOI: 10.7270/Q2FF3R1T
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM129716 (US8802672, 1) Show SMILES CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(C)=O)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-10.67,-3.08,;-8,-12.32,;-8,-13.86,)| Show InChI InChI=1S/C19H30Cl2N6O/c1-13(28)23-15-5-3-14(4-6-15)7-8-26-9-11-27(12-10-26)18-16(20)17(21)24-19(22-2)25-18/h14-15H,3-12H2,1-2H3,(H,23,28)(H,22,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Richter Gedeon Nyrt. US Patent					Assay Description Alpha-1 receptor binding studies were performed according to the methods described by Greengrass and Bremner (Eur. J. Pharmacol., 55:323-326, 1979) o...				US Patent US8802672 (2014) BindingDB Entry DOI: 10.7270/Q2FF3R1T
					More data for this Ligand-Target Pair