Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM130457'   

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))	BDBM130457 (US8822494, 3 | US8822494, 4) Show SMILES Cc1cc(Oc2nccc3n[nH]cc23)ccc1-c1c(C)n[nH]c(=O)c1C |(-2.8,-.24,;-1.47,-1.01,;-.14,-.24,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;1.2,-2.55,;-.14,-3.32,;-1.47,-2.55,;-2.8,-3.32,;-2.8,-4.86,;-1.47,-5.63,;-4.14,-5.63,;-5.47,-4.86,;-5.47,-3.32,;-6.81,-2.55,;-4.14,-2.55,;-4.14,-1.01,)| Show InChI InChI=1S/C19H17N5O2/c1-10-8-13(26-19-15-9-21-23-16(15)6-7-20-19)4-5-14(10)17-11(2)18(25)24-22-12(17)3/h4-9H,1-3H3,(H,21,23)(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.76	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 US8822494 (2014) BindingDB Entry DOI: 10.7270/Q27S7MFN
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM130457 (US8822494, 3 | US8822494, 4) Show SMILES Cc1cc(Oc2nccc3n[nH]cc23)ccc1-c1c(C)n[nH]c(=O)c1C |(-2.8,-.24,;-1.47,-1.01,;-.14,-.24,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;1.2,-2.55,;-.14,-3.32,;-1.47,-2.55,;-2.8,-3.32,;-2.8,-4.86,;-1.47,-5.63,;-4.14,-5.63,;-5.47,-4.86,;-5.47,-3.32,;-6.81,-2.55,;-4.14,-2.55,;-4.14,-1.01,)| Show InChI InChI=1S/C19H17N5O2/c1-10-8-13(26-19-15-9-21-23-16(15)6-7-20-19)4-5-14(10)17-11(2)18(25)24-22-12(17)3/h4-9H,1-3H3,(H,21,23)(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10.4	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 US8822494 (2014) BindingDB Entry DOI: 10.7270/Q27S7MFN
					More data for this Ligand-Target Pair