Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM86844' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM86844
(1-(5-chloro-2-methoxyphenyl)-3-(4-(4-(2-isopropoxy...)Show SMILES COc1ccc(Cl)cc1NC(=O)NC1CCC(CC1)N1CCN(CC1)c1ccccc1OC(C)C |(-24.01,-4.62,;-24.01,-3.08,;-25.34,-2.31,;-26.67,-3.08,;-28.01,-2.31,;-28.01,-.77,;-29.34,,;-26.67,,;-25.34,-.77,;-24.01,,;-22.67,-.77,;-21.34,,;-22.67,-2.31,;-21.34,-3.08,;-21.34,-4.62,;-20.01,-5.39,;-18.67,-4.62,;-18.67,-3.08,;-20.01,-2.31,;-17.34,-5.39,;-17.34,-6.93,;-16,-7.7,;-14.67,-6.93,;-14.67,-5.39,;-16,-4.62,;-13.34,-7.7,;-13.34,-9.24,;-12,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-12,-6.93,;-12,-5.39,;-10.67,-4.62,;-10.67,-3.08,;-9.34,-5.39,)| Show InChI InChI=1S/C27H37ClN4O3/c1-19(2)35-26-7-5-4-6-24(26)32-16-14-31(15-17-32)22-11-9-21(10-12-22)29-27(33)30-23-18-20(28)8-13-25(23)34-3/h4-8,13,18-19,21-22H,9-12,14-17H2,1-3H3,(H2,29,30,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 640-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.068 BindingDB Entry DOI: 10.7270/Q27H1H5S |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM86844
(1-(5-chloro-2-methoxyphenyl)-3-(4-(4-(2-isopropoxy...)Show SMILES COc1ccc(Cl)cc1NC(=O)NC1CCC(CC1)N1CCN(CC1)c1ccccc1OC(C)C |(-24.01,-4.62,;-24.01,-3.08,;-25.34,-2.31,;-26.67,-3.08,;-28.01,-2.31,;-28.01,-.77,;-29.34,,;-26.67,,;-25.34,-.77,;-24.01,,;-22.67,-.77,;-21.34,,;-22.67,-2.31,;-21.34,-3.08,;-21.34,-4.62,;-20.01,-5.39,;-18.67,-4.62,;-18.67,-3.08,;-20.01,-2.31,;-17.34,-5.39,;-17.34,-6.93,;-16,-7.7,;-14.67,-6.93,;-14.67,-5.39,;-16,-4.62,;-13.34,-7.7,;-13.34,-9.24,;-12,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-12,-6.93,;-12,-5.39,;-10.67,-4.62,;-10.67,-3.08,;-9.34,-5.39,)| Show InChI InChI=1S/C27H37ClN4O3/c1-19(2)35-26-7-5-4-6-24(26)32-16-14-31(15-17-32)22-11-9-21(10-12-22)29-27(33)30-23-18-20(28)8-13-25(23)34-3/h4-8,13,18-19,21-22H,9-12,14-17H2,1-3H3,(H2,29,30,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 640-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.068 BindingDB Entry DOI: 10.7270/Q27H1H5S |
More data for this Ligand-Target Pair | |