Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM160884'   

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(1A) dopamine receptor (Homo sapiens (Human))	BDBM160884 (US10093655, Example 55 | US11014909, Example 55 | ...) Show SMILES Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-.67,3.47,;-.67,1.93,;-2,1.15,;-2,-.38,;-3.33,-1.15,;-3.33,-2.69,;-2,-3.47,;-2,-5,;-3.33,-5.78,;-4.67,-5,;-4.67,-3.47,;-6,-2.69,;-.67,-1.15,;.67,-.38,;.67,1.15,;2,1.93,;2,3.47,;.67,4.23,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,;3.33,1.15,;3.33,-.38,)| Show InChI InChI=1S/C18H16ClN3O3/c1-10-9-12(25-17-14(19)5-4-8-20-17)6-7-13(10)15-11(2)16(23)21-18(24)22(15)3/h4-9H,1-3H3,(H,21,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...				US Patent US9107923 (2015) BindingDB Entry DOI: 10.7270/Q2C24V5T
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160884 (US10093655, Example 55 | US11014909, Example 55 | ...) Show SMILES Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-.67,3.47,;-.67,1.93,;-2,1.15,;-2,-.38,;-3.33,-1.15,;-3.33,-2.69,;-2,-3.47,;-2,-5,;-3.33,-5.78,;-4.67,-5,;-4.67,-3.47,;-6,-2.69,;-.67,-1.15,;.67,-.38,;.67,1.15,;2,1.93,;2,3.47,;.67,4.23,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,;3.33,1.15,;3.33,-.38,)| Show InChI InChI=1S/C18H16ClN3O3/c1-10-9-12(25-17-14(19)5-4-8-20-17)6-7-13(10)15-11(2)16(23)21-18(24)22(15)3/h4-9H,1-3H3,(H,21,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.33	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160884 (US10093655, Example 55 | US11014909, Example 55 | ...) Show SMILES Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-.67,3.47,;-.67,1.93,;-2,1.15,;-2,-.38,;-3.33,-1.15,;-3.33,-2.69,;-2,-3.47,;-2,-5,;-3.33,-5.78,;-4.67,-5,;-4.67,-3.47,;-6,-2.69,;-.67,-1.15,;.67,-.38,;.67,1.15,;2,1.93,;2,3.47,;.67,4.23,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,;3.33,1.15,;3.33,-.38,)| Show InChI InChI=1S/C18H16ClN3O3/c1-10-9-12(25-17-14(19)5-4-8-20-17)6-7-13(10)15-11(2)16(23)21-18(24)22(15)3/h4-9H,1-3H3,(H,21,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				US Patent US11014909 (2021) BindingDB Entry DOI: 10.7270/Q27D2Z7D
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160884 (US10093655, Example 55 | US11014909, Example 55 | ...) Show SMILES Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-.67,3.47,;-.67,1.93,;-2,1.15,;-2,-.38,;-3.33,-1.15,;-3.33,-2.69,;-2,-3.47,;-2,-5,;-3.33,-5.78,;-4.67,-5,;-4.67,-3.47,;-6,-2.69,;-.67,-1.15,;.67,-.38,;.67,1.15,;2,1.93,;2,3.47,;.67,4.23,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,;3.33,1.15,;3.33,-.38,)| Show InChI InChI=1S/C18H16ClN3O3/c1-10-9-12(25-17-14(19)5-4-8-20-17)6-7-13(10)15-11(2)16(23)21-18(24)22(15)3/h4-9H,1-3H3,(H,21,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	24.2	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Di...				US Patent US10093655 (2018) BindingDB Entry DOI: 10.7270/Q2SQ92F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160884 (US10093655, Example 55 | US11014909, Example 55 | ...) Show SMILES Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-.67,3.47,;-.67,1.93,;-2,1.15,;-2,-.38,;-3.33,-1.15,;-3.33,-2.69,;-2,-3.47,;-2,-5,;-3.33,-5.78,;-4.67,-5,;-4.67,-3.47,;-6,-2.69,;-.67,-1.15,;.67,-.38,;.67,1.15,;2,1.93,;2,3.47,;.67,4.23,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,;3.33,1.15,;3.33,-.38,)| Show InChI InChI=1S/C18H16ClN3O3/c1-10-9-12(25-17-14(19)5-4-8-20-17)6-7-13(10)15-11(2)16(23)21-18(24)22(15)3/h4-9H,1-3H3,(H,21,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	24.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...				US Patent US11014909 (2021) BindingDB Entry DOI: 10.7270/Q27D2Z7D
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM160884 (US10093655, Example 55 | US11014909, Example 55 | ...) Show SMILES Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(-.67,3.47,;-.67,1.93,;-2,1.15,;-2,-.38,;-3.33,-1.15,;-3.33,-2.69,;-2,-3.47,;-2,-5,;-3.33,-5.78,;-4.67,-5,;-4.67,-3.47,;-6,-2.69,;-.67,-1.15,;.67,-.38,;.67,1.15,;2,1.93,;2,3.47,;.67,4.23,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,;3.33,1.15,;3.33,-.38,)| Show InChI InChI=1S/C18H16ClN3O3/c1-10-9-12(25-17-14(19)5-4-8-20-17)6-7-13(10)15-11(2)16(23)21-18(24)22(15)3/h4-9H,1-3H3,(H,21,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	24.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...				US Patent US9107923 (2015) BindingDB Entry DOI: 10.7270/Q2C24V5T
					More data for this Ligand-Target Pair