Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 8686   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
G-protein coupled receptor 6 (Homo sapiens (Human))	BDBM412953 (US10406157, Compound Formula 1) Show SMILES CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NC3CCOC3)nc2C1 Show InChI InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	UniChem	US Patent	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The inhibition constant (Ki) from a GPR6 competition binding assay and the IC50 values from a hERG functional assay for the compound of Formula 1 (Ex...				US Patent US10406157 (2019) BindingDB Entry DOI: 10.7270/Q2J105HQ
					More data for this Ligand-Target Pair
G-protein coupled receptor 6 (Homo sapiens (Human))	BDBM191037 (US10077266, Example 149 | US10406157, Compound A |...) Show SMILES CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(N[C@H]3CCOC3)nc2C1 Show InChI InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)/t17-/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem Similars	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The inhibition constant (Ki) from a GPR6 competition binding assay and the IC50 values from a hERG functional assay for the compound of Formula 1 (Ex...				US Patent US10406157 (2019) BindingDB Entry DOI: 10.7270/Q2J105HQ
					More data for this Ligand-Target Pair
G-protein coupled receptor 6 (Homo sapiens (Human))	BDBM191037 (US10077266, Example 149 | US10406157, Compound A |...) Show SMILES CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(N[C@H]3CCOC3)nc2C1 Show InChI InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)/t17-/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	505	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The inhibition constant (Ki) from a GPR6 competition binding assay and the IC50 values from a hERG functional assay for the compound of Formula 1 (Ex...				US Patent US10406157 (2019) BindingDB Entry DOI: 10.7270/Q2J105HQ
					More data for this Ligand-Target Pair
G-protein coupled receptor 6 (Homo sapiens (Human))	BDBM412953 (US10406157, Compound Formula 1) Show SMILES CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NC3CCOC3)nc2C1 Show InChI InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	UniChem	US Patent	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The inhibition constant (Ki) from a GPR6 competition binding assay and the IC50 values from a hERG functional assay for the compound of Formula 1 (Ex...				US Patent US10406157 (2019) BindingDB Entry DOI: 10.7270/Q2J105HQ
					More data for this Ligand-Target Pair