Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM160876'   

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))	BDBM160876 (US10093655, Example 46 | US11014909, Example 46 | ...) Show SMILES Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)n[nH]c(=O)c1C |(.77,3.47,;.77,1.93,;-.56,1.15,;-.56,-.38,;-1.9,-1.15,;-1.9,-2.69,;-.56,-3.47,;-.56,-5,;-1.9,-5.78,;-3.23,-5,;-3.23,-3.47,;-4.56,-2.69,;-5.33,-1.36,;-6.1,-2.69,;.77,-1.15,;2.1,-.38,;2.1,1.15,;3.44,1.93,;4.77,1.15,;4.77,-.38,;6.1,1.93,;6.1,3.47,;4.77,4.23,;4.77,5.78,;3.44,3.47,;2.1,4.23,)| Show InChI InChI=1S/C21H21N3O2/c1-12-11-16(26-21-18(15-6-7-15)5-4-10-22-21)8-9-17(12)19-13(2)20(25)24-23-14(19)3/h4-5,8-11,15H,6-7H2,1-3H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.66	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))	BDBM160876 (US10093655, Example 46 | US11014909, Example 46 | ...) Show SMILES Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)n[nH]c(=O)c1C |(.77,3.47,;.77,1.93,;-.56,1.15,;-.56,-.38,;-1.9,-1.15,;-1.9,-2.69,;-.56,-3.47,;-.56,-5,;-1.9,-5.78,;-3.23,-5,;-3.23,-3.47,;-4.56,-2.69,;-5.33,-1.36,;-6.1,-2.69,;.77,-1.15,;2.1,-.38,;2.1,1.15,;3.44,1.93,;4.77,1.15,;4.77,-.38,;6.1,1.93,;6.1,3.47,;4.77,4.23,;4.77,5.78,;3.44,3.47,;2.1,4.23,)| Show InChI InChI=1S/C21H21N3O2/c1-12-11-16(26-21-18(15-6-7-15)5-4-10-22-21)8-9-17(12)19-13(2)20(25)24-23-14(19)3/h4-5,8-11,15H,6-7H2,1-3H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.66	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))	BDBM160876 (US10093655, Example 46 | US11014909, Example 46 | ...) Show SMILES Cc1cc(Oc2ncccc2C2CC2)ccc1-c1c(C)n[nH]c(=O)c1C |(.77,3.47,;.77,1.93,;-.56,1.15,;-.56,-.38,;-1.9,-1.15,;-1.9,-2.69,;-.56,-3.47,;-.56,-5,;-1.9,-5.78,;-3.23,-5,;-3.23,-3.47,;-4.56,-2.69,;-5.33,-1.36,;-6.1,-2.69,;.77,-1.15,;2.1,-.38,;2.1,1.15,;3.44,1.93,;4.77,1.15,;4.77,-.38,;6.1,1.93,;6.1,3.47,;4.77,4.23,;4.77,5.78,;3.44,3.47,;2.1,4.23,)| Show InChI InChI=1S/C21H21N3O2/c1-12-11-16(26-21-18(15-6-7-15)5-4-10-22-21)8-9-17(12)19-13(2)20(25)24-23-14(19)3/h4-5,8-11,15H,6-7H2,1-3H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.66	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