Found 2122 hits with Last Name = 'tobinaga' and Initial = 'h' 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(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476758
(US10870660, Compound III-024 | US11345716, Compoun...)Show SMILES CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)C1=O |r,wU:15.16,wD:12.12,(12.04,-1.54,;11.27,-.21,;9.74,-.05,;9.42,1.46,;10.75,2.23,;10.75,3.77,;9.42,4.54,;8.09,3.77,;8.09,2.23,;6.75,1.46,;6.75,-.08,;5.42,2.23,;4.08,1.46,;2.75,2.23,;1.42,1.46,;1.42,-.08,;.08,-.85,;-1.25,-.08,;-2.58,-.85,;-2.47,-2.39,;-3.6,-3.43,;-5.12,-3.21,;-5.89,-4.54,;-7.43,-4.54,;-8.2,-3.21,;-9.74,-3.21,;-10.51,-1.87,;-12.05,-1.87,;-12.82,-.54,;-12.05,-3.41,;-13.38,-2.64,;-7.43,-1.87,;-5.89,-1.87,;-5.33,-.44,;-3.86,.02,;2.75,-.85,;4.08,-.08,;11.9,1.2,;13.38,1.6,)| Show InChI InChI=1S/C30H38F2N4O3/c1-30(31,32)19-39-27-11-8-21-13-16-36(17-14-26(21)34-27)15-12-20-6-9-22(10-7-20)33-28(37)23-4-3-5-24-25(23)18-35(2)29(24)38/h3-5,8,11,20,22H,6-7,9-10,12-19H2,1-2H3,(H,33,37)/t20-,22- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 0.0120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476918
(US10870660, Compound II-057)Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)F)nc3CC2)CC1 |r,wU:16.18,wD:13.14,(12.43,-1.54,;11.66,-.21,;10.13,-.05,;9.81,1.46,;8.48,2.23,;8.48,3.77,;9.81,4.54,;11.14,3.77,;11.14,2.23,;12.29,1.2,;7.14,1.46,;7.14,-.08,;5.81,2.23,;4.47,1.46,;3.14,2.23,;1.81,1.46,;1.81,-.08,;.47,-.85,;-.86,-.08,;-2.19,-.85,;-2.08,-2.39,;-3.21,-3.43,;-4.73,-3.21,;-5.5,-4.54,;-7.04,-4.54,;-7.81,-3.21,;-9.35,-3.21,;-10.12,-1.87,;-11.66,-1.87,;-12.43,-.54,;-12.43,-3.21,;-7.04,-1.87,;-5.5,-1.87,;-4.94,-.44,;-3.47,.02,;3.14,-.85,;4.47,-.08,)| Show InChI InChI=1S/C28H35F2N5O2/c1-34-17-23-22(3-2-4-25(23)33-34)28(36)31-21-8-5-19(6-9-21)11-14-35-15-12-20-7-10-27(37-18-26(29)30)32-24(20)13-16-35/h2-4,7,10,17,19,21,26H,5-6,8-9,11-16,18H2,1H3,(H,31,36)/t19-,21- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593894
(US11578084, Compound I'-42)Show SMILES Cn1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)n1 |r,wU:12.12,wD:9.8,(13.38,2.02,;11.84,2.02,;11.03,.71,;9.54,1.08,;9.42,2.61,;8.09,3.38,;6.75,2.61,;6.75,1.07,;5.42,3.38,;4.09,2.61,;2.75,3.38,;1.42,2.61,;1.42,1.07,;.09,.3,;-1.25,1.07,;-2.58,.3,;-2.47,-1.23,;-3.6,-2.28,;-5.12,-2.05,;-5.89,-3.38,;-7.43,-3.38,;-8.2,-2.05,;-9.74,-2.05,;-10.51,-.72,;-12.05,-.72,;-12.82,.62,;-12.05,-2.26,;-13.38,-1.49,;-7.43,-.72,;-5.89,-.72,;-5.33,.72,;-3.85,1.17,;2.75,.3,;4.09,1.07,;10.85,3.2,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476915
(US10870660, Compound II-047)Show SMILES CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)C1=O |r,wU:15.16,wD:12.12,(11.97,-.99,;11.2,.35,;9.67,.51,;9.35,2.02,;10.68,2.79,;10.68,4.33,;9.35,5.1,;8.02,4.33,;8.02,2.79,;6.68,2.02,;6.68,.48,;5.35,2.79,;4.02,2.02,;2.68,2.79,;1.35,2.02,;1.35,.48,;.01,-.29,;-1.32,.48,;-2.65,-.29,;-3.86,.67,;-5.36,.32,;-6.03,-1.06,;-7.55,-1.27,;-7.83,-2.79,;-9.16,-3.56,;-10.49,-2.79,;-11.83,-3.56,;-11.83,-5.1,;-13.16,-4.33,;-13.16,-2.79,;-6.47,-3.52,;-5.36,-2.45,;-3.86,-2.79,;-2.65,-1.83,;2.68,-.29,;4.02,.48,;11.83,1.76,;13.16,2.53,)| Show InChI InChI=1S/C27H33F3N4O3S/c1-33-15-21-19(3-2-4-20(21)25(33)36)24(35)31-18-7-5-17(6-8-18)9-12-34-13-10-22-23(11-14-34)38-26(32-22)37-16-27(28,29)30/h2-4,17-18H,5-16H2,1H3,(H,31,35)/t17-,18- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593791
(US11578084, Compound I-074)Show SMILES Cn1cc(\C=C\C(=O)N[C@H]2CC[C@](F)(CCN3CCc4nc(OCC(C)(F)F)sc4CC3)CC2)cn1 |r,wU:12.13,wD:9.8,12.12,(13.61,4.08,;12.07,4.08,;11.17,2.83,;9.7,3.31,;8.37,2.54,;7.04,3.31,;5.7,2.54,;5.7,1,;4.37,3.31,;3.04,2.54,;1.7,3.31,;.37,2.54,;.37,1,;.37,-.54,;-.97,.23,;-2.3,1,;-3.63,.23,;-4.99,.96,;-6.4,.35,;-6.81,-1.2,;-8.28,-1.68,;-8.28,-3.22,;-9.61,-3.99,;-10.95,-3.22,;-12.28,-3.99,;-13.61,-3.22,;-13.05,-5.32,;-11.51,-5.32,;-6.81,-3.69,;-5.91,-2.45,;-4.37,-2.45,;-3.36,-1.29,;1.7,.23,;3.04,1,;9.7,4.85,;11.17,5.32,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476764
(US10870660, Compound III-064 | US11345716, Compoun...)Show SMILES CC(Oc1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4C(=O)N(C)Cc34)CCc2s1)C(F)(F)F |r,wU:11.10,wD:14.17,(-10.47,-1.44,;-10.47,-2.98,;-9.14,-3.75,;-7.8,-2.98,;-7.64,-1.44,;-6.14,-1.12,;-5.57,.31,;-4.1,.76,;-2.83,-.1,;-1.5,.67,;-.16,-.1,;1.17,.67,;1.17,2.21,;2.5,2.98,;3.84,2.21,;3.84,.67,;2.5,-.1,;5.17,2.98,;6.51,2.21,;6.51,.67,;7.84,2.98,;7.84,4.52,;9.17,5.29,;10.51,4.52,;10.51,2.98,;11.65,1.95,;13.14,2.34,;11.02,.54,;11.79,-.8,;9.49,.7,;9.17,2.21,;-2.71,-1.64,;-3.84,-2.69,;-5.37,-2.46,;-6.4,-3.6,;-11.8,-3.75,;-13.14,-2.98,;-11.8,-5.29,;-13.14,-4.52,)| Show InChI InChI=1S/C28H35F3N4O3S/c1-17(28(29,30)31)38-27-33-23-11-14-35(15-12-24(23)39-27)13-10-18-6-8-19(9-7-18)32-25(36)20-4-3-5-21-22(20)16-34(2)26(21)37/h3-5,17-19H,6-16H2,1-2H3,(H,32,36)/t17?,18-,19- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593929
(US11578084, Compound I-157)Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)on1 |r,wU:11.12,wD:11.11,8.7,(13.46,1.84,;11.92,1.84,;11.01,3.09,;9.55,2.61,;8.22,3.38,;6.88,2.61,;6.88,1.07,;5.55,3.38,;4.22,2.61,;2.88,3.38,;1.55,2.61,;1.55,1.07,;1.55,-.47,;.21,.3,;-1.12,1.07,;-2.45,.3,;-2.34,-1.23,;-3.47,-2.28,;-4.99,-2.05,;-5.76,-3.38,;-7.3,-3.38,;-8.07,-2.05,;-9.61,-2.05,;-10.38,-.72,;-11.92,-.72,;-12.69,.62,;-12.69,-2.05,;-13.46,-.72,;-7.3,-.72,;-5.76,-.72,;-5.2,.72,;-3.73,1.17,;2.88,.3,;4.22,1.07,;9.55,1.07,;11.01,.6,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593940
(US11578084, Compound III-3)Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)on1 |r,wU:11.12,wD:8.7,11.11,(13.49,2.1,;11.95,2.1,;10.92,3.24,;9.52,2.61,;8.18,3.38,;6.85,2.61,;6.85,1.07,;5.52,3.38,;4.18,2.61,;2.85,3.38,;1.51,2.61,;1.51,1.07,;1.51,-.47,;.18,.3,;-1.15,1.07,;-2.49,.3,;-2.37,-1.23,;-3.5,-2.28,;-5.02,-2.05,;-5.79,-3.38,;-7.33,-3.38,;-8.1,-2.05,;-9.64,-2.05,;-10.41,-.72,;-11.95,-.72,;-12.72,.62,;-13.49,-.72,;-12.72,-2.05,;-7.33,-.72,;-5.79,-.72,;-5.23,.72,;-3.76,1.17,;2.85,.3,;4.18,1.07,;9.68,1.08,;11.18,.76,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593840
(US11578084, Compound I-123 | US11578084, Compound ...)Show SMILES CC(Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4nn(C)cc34)CCc2n1)C(F)F |r,wU:12.11,wD:15.18,(-7.95,5.11,;-9.28,4.34,;-9.28,2.8,;-7.95,2.03,;-7.95,.49,;-6.62,-.28,;-5.28,.49,;-4.08,-.47,;-2.58,-.13,;-1.91,1.26,;-.37,1.26,;.4,-.07,;1.94,-.07,;2.71,1.26,;4.25,1.26,;5.02,-.07,;4.25,-1.41,;2.71,-1.41,;6.56,-.07,;7.33,-1.41,;6.56,-2.74,;8.87,-1.41,;9.64,-.07,;11.18,-.07,;11.95,-1.41,;11.18,-2.74,;11.66,-4.21,;10.41,-5.11,;10.41,-6.65,;9.17,-4.21,;9.64,-2.74,;-2.58,2.65,;-4.08,2.99,;-5.28,2.03,;-6.62,2.8,;-10.62,5.11,;-11.95,4.34,;-10.62,6.65,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476836
(US10870660, Compound III-581 | US11345716, Compoun...)Show SMILES Cc1cc(OCC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)N3CC(F)(F)C3)CC2)no1 |r,wU:12.12,wD:9.8,(13.67,2.46,;12.13,2.46,;11.22,1.21,;9.76,1.69,;8.42,.92,;7.09,1.69,;5.76,.92,;5.76,-.62,;4.42,1.69,;3.09,.92,;1.76,1.69,;.42,.92,;.42,-.62,;-.91,-1.39,;-2.25,-.62,;-3.58,-1.39,;-3.58,-2.93,;-4.91,-3.7,;-6.25,-2.93,;-7.71,-3.41,;-8.62,-2.16,;-7.71,-.92,;-6.25,-1.39,;-4.91,-.62,;-10.16,-2.16,;-11.24,-1.07,;-12.33,-2.16,;-13.67,-1.39,;-13.67,-2.93,;-11.24,-3.25,;1.76,-1.39,;3.09,-.62,;9.76,3.23,;11.22,3.7,)| Show InChI InChI=1S/C23H31F2N5O3S/c1-15-10-21(28-33-15)32-12-20(31)26-17-4-2-16(3-5-17)6-8-29-9-7-19-18(11-29)27-22(34-19)30-13-23(24,25)14-30/h10,16-17H,2-9,11-14H2,1H3,(H,26,31)/t16-,17- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593735
(US11578084, Compound I-018)Show SMILES Cc1nnc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)s1 |r,wU:12.13,wD:9.8,12.12,(13.36,1.84,;11.82,1.84,;10.91,.6,;9.45,1.07,;9.45,2.61,;8.11,3.38,;6.78,2.61,;6.78,1.07,;5.45,3.38,;4.11,2.61,;2.78,3.38,;1.44,2.61,;1.44,1.07,;1.44,-.47,;.11,.3,;-1.22,1.07,;-2.56,.3,;-2.44,-1.23,;-3.57,-2.28,;-5.09,-2.05,;-5.86,-3.38,;-7.4,-3.38,;-8.17,-2.05,;-9.71,-2.05,;-10.48,-.72,;-12.02,-.72,;-12.79,.62,;-12.02,-2.26,;-13.36,-1.49,;-7.4,-.72,;-5.86,-.72,;-5.3,.72,;-3.83,1.17,;2.78,.3,;4.11,1.07,;10.91,3.09,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593733
(US11578084, Compound I-016)Show SMILES Cn1cc2c(cccc2n1)C(=O)NN1CCC(CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)CC1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593890
(US11578084, Compound I'-38)Show SMILES Cn1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(C)(F)F)sc4CC3)CC2)n1 |r,wU:12.12,wD:9.8,(13.14,2.67,;11.6,2.67,;10.79,1.36,;9.29,1.72,;9.18,3.26,;7.84,4.03,;6.51,3.26,;6.51,1.72,;5.17,4.03,;3.84,3.26,;2.51,4.03,;1.17,3.26,;1.17,1.72,;-.16,.95,;-1.49,1.72,;-2.83,.95,;-4.1,1.82,;-5.57,1.36,;-6.13,-.07,;-7.64,-.39,;-7.8,-1.92,;-9.14,-2.69,;-10.47,-1.92,;-11.8,-2.69,;-13.14,-1.92,;-12.57,-4.03,;-11.03,-4.03,;-6.4,-2.55,;-5.36,-1.41,;-3.84,-1.64,;-2.71,-.59,;2.51,.95,;3.84,1.72,;10.6,3.84,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593802
(US11578084, Compound I-085)Show SMILES COc1cc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)on1 |r,wU:12.13,wD:9.8,12.12,(13.46,.51,;12.69,1.84,;11.15,1.84,;10.24,3.09,;8.78,2.61,;7.45,3.38,;6.11,2.61,;6.11,1.07,;4.78,3.38,;3.45,2.61,;2.11,3.38,;.78,2.61,;.78,1.07,;.78,-.47,;-.56,.3,;-1.89,1.07,;-3.22,.3,;-3.11,-1.23,;-4.24,-2.28,;-5.76,-2.05,;-6.53,-3.38,;-8.07,-3.38,;-8.84,-2.05,;-10.38,-2.05,;-11.15,-.72,;-12.69,-.72,;-13.46,.62,;-13.46,-2.05,;-8.07,-.72,;-6.53,-.72,;-5.97,.72,;-4.5,1.17,;2.11,.3,;3.45,1.07,;8.78,1.07,;10.24,.6,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476923
(US10870660, Compound II-081 | US11345716, Compound...)Show SMILES CCn1c(cccc1=O)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)CC1 |r,wU:15.16,wD:12.12,(11.5,-.85,;10.17,-.08,;10.17,1.46,;8.84,2.23,;8.84,3.77,;10.17,4.54,;11.5,3.77,;11.5,2.23,;12.84,1.46,;7.5,1.46,;7.5,-.08,;6.17,2.23,;4.84,1.46,;3.5,2.23,;2.17,1.46,;2.17,-.08,;.84,-.85,;-.5,-.08,;-1.83,-.85,;-1.72,-2.39,;-2.85,-3.43,;-4.37,-3.21,;-5.14,-4.54,;-6.68,-4.54,;-7.45,-3.21,;-8.99,-3.21,;-9.76,-1.87,;-11.3,-1.87,;-12.07,-.54,;-12.07,-3.21,;-12.84,-1.87,;-6.68,-1.87,;-5.14,-1.87,;-4.58,-.44,;-3.1,.02,;3.5,-.85,;4.84,-.08,)| Show InChI InChI=1S/C27H35F3N4O3/c1-2-34-23(4-3-5-25(34)35)26(36)31-21-9-6-19(7-10-21)12-15-33-16-13-20-8-11-24(32-22(20)14-17-33)37-18-27(28,29)30/h3-5,8,11,19,21H,2,6-7,9-10,12-18H2,1H3,(H,31,36)/t19-,21- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593765
(US11578084, Compound I-048)Show SMILES FC(F)c1ncccc1C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OCC(F)(F)F)sc3CC2)CC1 |r,wU:15.16,wD:12.12,(10.19,-4.77,;9.42,-3.44,;7.88,-3.44,;10.19,-2.1,;11.73,-2.1,;12.5,-.77,;11.73,.56,;10.19,.56,;9.42,-.77,;7.88,-.77,;7.11,-2.1,;7.11,.56,;5.57,.56,;4.8,1.9,;3.26,1.9,;2.49,.56,;.95,.56,;.18,1.9,;-1.36,1.9,;-2.03,.51,;-3.53,.17,;-4.74,1.13,;-6.2,.65,;-7.11,1.9,;-8.65,1.9,;-9.42,3.23,;-10.96,3.23,;-12.5,3.23,;-10.96,4.77,;-10.96,1.69,;-6.2,3.14,;-4.74,2.67,;-3.53,3.63,;-2.03,3.28,;3.26,-.77,;4.8,-.77,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476834
(US10870660, Compound III-578 | US11345716, Compoun...)Show SMILES COc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)N3CC(F)(F)C3)CC2)on1 |r,wU:12.12,wD:9.8,(13.39,2.49,;12.62,1.15,;11.08,1.15,;10.17,2.4,;8.71,1.93,;7.37,2.69,;6.04,1.93,;6.04,.38,;4.7,2.69,;3.37,1.93,;2.04,2.69,;.7,1.93,;.7,.38,;-.63,-.38,;-1.96,.38,;-3.3,-.38,;-3.3,-1.93,;-4.63,-2.69,;-5.96,-1.93,;-7.43,-2.4,;-8.33,-1.15,;-7.43,.09,;-5.96,-.38,;-4.63,.38,;-9.87,-1.15,;-10.96,-.07,;-12.05,-1.15,;-13.39,-.38,;-13.39,-1.93,;-10.96,-2.24,;2.04,-.38,;3.37,.38,;8.71,.38,;10.17,-.09,)| Show InChI InChI=1S/C23H31F2N5O3S/c1-32-21-11-17(33-28-21)10-20(31)26-16-4-2-15(3-5-16)6-8-29-9-7-19-18(12-29)27-22(34-19)30-13-23(24,25)14-30/h11,15-16H,2-10,12-14H2,1H3,(H,26,31)/t15-,16- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476858
(US10870660, Compound III-706 | US11345716, Compoun...)Show SMILES Cc1nc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)N3CC(F)(F)C3)CC2)cs1 |r,wU:12.12,wD:9.8,(12.75,4.37,;11.98,3.04,;10.51,2.56,;10.51,1.02,;9.18,.25,;7.84,1.02,;6.51,.25,;6.51,-1.29,;5.18,1.02,;3.84,.25,;2.53,1.02,;1.19,.25,;1.19,-1.29,;-.14,-2.06,;-1.48,-1.29,;-2.81,-2.06,;-2.79,-3.6,;-4.13,-4.37,;-5.46,-3.6,;-6.92,-4.08,;-7.83,-2.83,;-6.92,-1.58,;-5.46,-2.06,;-4.13,-1.29,;-9.37,-2.83,;-10.46,-1.74,;-11.55,-2.83,;-12.88,-2.06,;-12.88,-3.6,;-10.46,-3.92,;2.53,-2.06,;3.86,-1.29,;11.98,.54,;12.88,1.79,)| Show InChI InChI=1S/C24H31F2N5OS2/c1-16-27-19(13-33-16)6-7-22(32)28-18-4-2-17(3-5-18)8-10-30-11-9-21-20(12-30)29-23(34-21)31-14-24(25,26)15-31/h6-7,13,17-18H,2-5,8-12,14-15H2,1H3,(H,28,32)/b7-6+/t17-,18- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476924
(US10870660, Compound II-084 | US11345716, Compound...)Show SMILES CN(CC(F)(F)F)c1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)Cc3cnc(C)s3)CCc2s1 |r,wU:15.14,wD:18.21,(-9.24,-3.94,;-9.24,-2.4,;-10.58,-1.63,;-11.91,-2.4,;-13.24,-3.17,;-12.68,-1.07,;-11.14,-3.73,;-7.91,-1.63,;-7.64,-.12,;-6.11,.09,;-5.44,1.48,;-3.94,1.82,;-2.74,.86,;-1.4,1.63,;-.07,.86,;1.27,1.63,;1.27,3.17,;2.6,3.94,;3.93,3.17,;3.93,1.63,;2.6,.86,;5.27,3.94,;6.6,3.17,;6.6,1.63,;7.93,3.94,;9.27,3.17,;9.43,1.64,;10.93,1.32,;11.7,2.65,;13.24,2.65,;10.67,3.8,;-2.74,-.68,;-3.94,-1.64,;-5.44,-1.3,;-6.55,-2.36,)| Show InChI InChI=1S/C24H34F3N5OS2/c1-16-28-14-19(34-16)13-22(33)29-18-5-3-17(4-6-18)7-10-32-11-8-20-21(9-12-32)35-23(30-20)31(2)15-24(25,26)27/h14,17-18H,3-13,15H2,1-2H3,(H,29,33)/t17-,18- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476773
(US10870660, Compound III-138 | US11345716, Compoun...)Show SMILES Cn1cc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1 |r,wU:12.12,wD:9.8,(12.71,6.09,;11.94,4.76,;10.47,4.28,;10.47,2.74,;9.14,1.97,;7.81,2.74,;6.47,1.97,;6.47,.43,;5.14,2.74,;3.81,1.97,;2.47,2.74,;1.14,1.97,;1.14,.43,;-.2,-.34,;-1.53,.43,;-2.86,-.34,;-4.22,.39,;-5.63,-.21,;-6.04,-1.77,;-7.51,-2.24,;-7.51,-3.78,;-8.84,-4.55,;-10.18,-3.78,;-11.51,-4.55,;-12.84,-3.78,;-11.51,-6.09,;-12.84,-5.32,;-6.04,-4.26,;-5.14,-3.01,;-3.6,-3.01,;-2.59,-1.85,;2.47,-.34,;3.81,.43,;11.94,2.27,;12.84,3.51,)| Show InChI InChI=1S/C24H32F3N5O2S/c1-31-15-18(14-28-31)4-7-22(33)29-19-5-2-17(3-6-19)8-11-32-12-9-20-21(10-13-32)35-23(30-20)34-16-24(25,26)27/h4,7,14-15,17,19H,2-3,5-6,8-13,16H2,1H3,(H,29,33)/b7-4+/t17-,19- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593764
(US11578084, Compound I-047)Show SMILES COC(CN1CCc2sc(OCC(C)(F)F)nc2C1)C1CC2(CC(C2)NC(=O)c2cccc3nn(C)cc23)C1 |(1.42,-3.91,;-.07,-3.51,;-.47,-2.03,;-1.96,-1.63,;-3.05,-2.72,;-2.57,-4.18,;-3.6,-5.33,;-5.11,-5.01,;-6.35,-5.91,;-7.6,-5.01,;-8.93,-5.78,;-10.02,-4.69,;-11.51,-5.09,;-12.6,-4,;-11.11,-6.57,;-12.6,-6.18,;-7.12,-3.54,;-5.58,-3.54,;-4.55,-2.4,;.62,-.94,;.62,.6,;2.16,.6,;3.7,.6,;3.7,2.14,;2.16,2.14,;4.79,3.23,;6.27,2.83,;6.67,1.34,;7.36,3.92,;6.74,5.33,;7.64,6.57,;9.17,6.41,;9.8,5.01,;11.27,4.53,;11.27,2.99,;12.6,2.22,;9.8,2.51,;8.9,3.76,;2.16,-.94,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476914
(US10870660, Compound II-041)Show SMILES COc1cc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)on1 |r,wU:13.13,wD:10.9,(14.13,4.44,;13.36,3.1,;11.82,3.1,;10.91,1.86,;9.45,2.33,;8.11,1.56,;6.78,2.33,;5.45,1.56,;5.45,.02,;4.11,2.33,;2.78,1.56,;1.44,2.33,;.11,1.56,;.11,.02,;-1.22,-.75,;-2.56,.02,;-3.89,-.75,;-3.77,-2.28,;-4.9,-3.33,;-6.43,-3.1,;-7.2,-4.44,;-8.74,-4.44,;-9.51,-3.1,;-11.05,-3.1,;-11.82,-1.77,;-13.36,-1.77,;-14.13,-.43,;-14.13,-3.1,;-8.74,-1.77,;-7.2,-1.77,;-6.63,-.33,;-5.16,.12,;1.44,-.75,;2.78,.02,;9.45,3.87,;10.91,4.35,)| Show InChI InChI=1S/C26H34F2N4O4/c1-34-26-16-21(36-31-26)7-8-24(33)29-20-5-2-18(3-6-20)10-13-32-14-11-19-4-9-25(35-17-23(27)28)30-22(19)12-15-32/h4,7-9,16,18,20,23H,2-3,5-6,10-15,17H2,1H3,(H,29,33)/b8-7+/t18-,20- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476925
(US10870660, Compound II-087)Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)OC1 |r| Show InChI InChI=1S/C27H32F3N5O3/c1-34-15-22-21(3-2-4-24(22)33-34)26(36)31-19-6-7-20(37-16-19)10-13-35-12-9-18-5-8-25(32-23(18)11-14-35)38-17-27(28,29)30/h2-5,8,15,19-20H,6-7,9-14,16-17H2,1H3,(H,31,36)/t19-,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593734
(US11578084, Compound I-017)Show SMILES Cn1cc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)cn1 |r,wU:11.12,wD:8.7,11.11,(13.36,1.84,;11.82,1.84,;10.91,3.09,;9.45,2.61,;8.11,3.38,;6.78,2.61,;6.78,1.07,;5.45,3.38,;4.11,2.61,;2.78,3.38,;1.44,2.61,;1.44,1.07,;1.44,-.47,;.11,.3,;-1.22,1.07,;-2.56,.3,;-2.44,-1.23,;-3.57,-2.28,;-5.09,-2.05,;-5.86,-3.38,;-7.4,-3.38,;-8.17,-2.05,;-9.71,-2.05,;-10.48,-.72,;-12.02,-.72,;-12.79,.62,;-12.02,-2.26,;-13.36,-1.49,;-7.4,-.72,;-5.86,-.72,;-5.3,.72,;-3.83,1.17,;2.78,.3,;4.11,1.07,;9.45,1.07,;10.91,.6,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476759
(US10870660, Compound III-027 | US11345716, Compoun...)Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(C)(F)F)nc3CC2)CC1 |r,wU:16.18,wD:13.14,(12.71,-1.54,;11.94,-.21,;10.41,-.05,;10.09,1.46,;8.76,2.23,;8.76,3.77,;10.09,4.54,;11.42,3.77,;11.42,2.23,;12.57,1.2,;7.42,1.46,;7.42,-.08,;6.09,2.23,;4.76,1.46,;3.42,2.23,;2.09,1.46,;2.09,-.08,;.76,-.85,;-.58,-.08,;-1.91,-.85,;-1.8,-2.39,;-2.93,-3.43,;-4.45,-3.21,;-5.22,-4.54,;-6.76,-4.54,;-7.53,-3.21,;-9.07,-3.21,;-9.84,-1.87,;-11.38,-1.87,;-12.15,-.54,;-11.38,-3.41,;-12.71,-2.64,;-6.76,-1.87,;-5.22,-1.87,;-4.66,-.44,;-3.18,.02,;3.42,-.85,;4.76,-.08,)| Show InChI InChI=1S/C29H37F2N5O2/c1-29(30,31)19-38-27-11-8-21-13-16-36(17-14-25(21)33-27)15-12-20-6-9-22(10-7-20)32-28(37)23-4-3-5-26-24(23)18-35(2)34-26/h3-5,8,11,18,20,22H,6-7,9-10,12-17,19H2,1-2H3,(H,32,37)/t20-,22- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476866
(US10870660, Compound II-053 | US11345716, Compound...)Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)s1 |r,wU:12.12,wD:9.8,(13.21,2.4,;11.67,2.4,;10.77,1.16,;9.3,1.63,;9.3,3.17,;7.97,3.94,;6.63,3.17,;6.63,1.63,;5.3,3.94,;3.97,3.17,;2.63,3.94,;1.3,3.17,;1.3,1.63,;-.03,.86,;-1.37,1.63,;-2.7,.86,;-3.91,1.82,;-5.41,1.48,;-6.08,.09,;-7.6,-.12,;-7.88,-1.63,;-9.21,-2.4,;-10.54,-1.63,;-11.88,-2.4,;-11.88,-3.94,;-13.21,-1.63,;-13.21,-3.17,;-6.52,-2.36,;-5.41,-1.3,;-3.91,-1.64,;-2.7,-.68,;2.63,.86,;3.97,1.63,;10.77,3.65,)| Show InChI InChI=1S/C23H31F3N4O2S2/c1-15-27-13-18(33-15)12-21(31)28-17-4-2-16(3-5-17)6-9-30-10-7-19-20(8-11-30)34-22(29-19)32-14-23(24,25)26/h13,16-17H,2-12,14H2,1H3,(H,28,31)/t16-,17- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593796
(US11578084, Compound I-079)Show SMILES Cc1cc(OCC(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)no1 |r,wU:12.13,wD:9.8,12.12,(14.02,3.15,;12.48,3.15,;11.58,1.9,;10.11,2.38,;8.78,1.61,;7.45,2.38,;6.11,1.61,;6.11,.07,;4.78,2.38,;3.45,1.61,;2.11,2.38,;.78,1.61,;.78,.07,;.78,-1.47,;-.56,-.7,;-1.89,.07,;-3.22,-.7,;-3.11,-2.24,;-4.24,-3.29,;-5.76,-3.06,;-6.53,-4.39,;-8.07,-4.39,;-8.84,-3.06,;-10.38,-3.06,;-11.15,-1.72,;-12.69,-1.72,;-13.46,-.39,;-12.69,-3.26,;-14.02,-2.49,;-8.07,-1.72,;-6.53,-1.72,;-5.97,-.29,;-4.5,.16,;2.11,-.7,;3.45,.07,;10.11,3.92,;11.58,4.39,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593860
(US11578084, Compound I'-8)Show SMILES Cc1cc(OCC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)no1 |r,wU:12.12,wD:9.8,(14.13,3.15,;12.59,3.15,;11.68,1.9,;10.22,2.38,;8.88,1.61,;7.55,2.38,;6.22,1.61,;6.22,.07,;4.88,2.38,;3.55,1.61,;2.21,2.38,;.88,1.61,;.88,.07,;-.45,-.7,;-1.79,.07,;-3.12,-.7,;-3,-2.24,;-4.13,-3.29,;-5.66,-3.06,;-6.43,-4.39,;-7.97,-4.39,;-8.74,-3.06,;-10.28,-3.06,;-11.05,-1.72,;-12.59,-1.72,;-13.36,-.39,;-13.36,-3.06,;-14.13,-1.72,;-7.97,-1.72,;-6.43,-1.72,;-5.86,-.29,;-4.39,.16,;2.21,-.7,;3.55,.07,;10.22,3.92,;11.68,4.39,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593888
(US11578084, Compound I'-36)Show SMILES Cn1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)n1 |r,wU:12.12,wD:9.8,(13.14,2.77,;11.6,2.77,;10.79,1.46,;9.29,1.83,;9.18,3.36,;7.84,4.13,;6.51,3.36,;6.51,1.82,;5.17,4.13,;3.84,3.36,;2.51,4.13,;1.17,3.36,;1.17,1.82,;-.16,1.05,;-1.49,1.82,;-2.83,1.05,;-4.1,1.92,;-5.57,1.46,;-6.13,.03,;-7.64,-.29,;-7.8,-1.82,;-9.14,-2.59,;-10.47,-1.82,;-11.8,-2.59,;-13.14,-3.36,;-11.8,-4.13,;-13.14,-1.82,;-6.4,-2.45,;-5.36,-1.3,;-3.84,-1.53,;-2.71,-.48,;2.51,1.05,;3.84,1.82,;10.6,3.95,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593840
(US11578084, Compound I-123 | US11578084, Compound ...)Show SMILES CC(Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4nn(C)cc34)CCc2n1)C(F)F |r,wU:12.11,wD:15.18,(-7.95,5.11,;-9.28,4.34,;-9.28,2.8,;-7.95,2.03,;-7.95,.49,;-6.62,-.28,;-5.28,.49,;-4.08,-.47,;-2.58,-.13,;-1.91,1.26,;-.37,1.26,;.4,-.07,;1.94,-.07,;2.71,1.26,;4.25,1.26,;5.02,-.07,;4.25,-1.41,;2.71,-1.41,;6.56,-.07,;7.33,-1.41,;6.56,-2.74,;8.87,-1.41,;9.64,-.07,;11.18,-.07,;11.95,-1.41,;11.18,-2.74,;11.66,-4.21,;10.41,-5.11,;10.41,-6.65,;9.17,-4.21,;9.64,-2.74,;-2.58,2.65,;-4.08,2.99,;-5.28,2.03,;-6.62,2.8,;-10.62,5.11,;-11.95,4.34,;-10.62,6.65,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593845
(US11578084, Compound I-128)Show SMILES C[C@@H](Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)Cc3cnn(C)n3)CCc2n1)C(F)(F)F |r,wU:1.0,12.11,wD:15.18,(-9.61,.62,;-10.38,-.72,;-9.61,-2.05,;-8.07,-2.05,;-7.3,-3.38,;-5.76,-3.38,;-4.99,-2.05,;-3.47,-2.28,;-2.34,-1.23,;-2.45,.3,;-1.12,1.07,;.21,.3,;1.55,1.07,;1.55,2.61,;2.88,3.38,;4.22,2.61,;4.22,1.07,;2.88,.3,;5.55,3.38,;6.88,2.61,;6.88,1.07,;8.22,3.38,;9.55,2.61,;9.55,1.07,;11.01,.6,;11.92,1.84,;13.46,1.84,;11.01,3.09,;-3.73,1.17,;-5.2,.72,;-5.76,-.72,;-7.3,-.72,;-11.92,-.72,;-12.69,-2.05,;-12.69,.62,;-13.46,-.72,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476922
(US10870660, Compound II-078 | US11345716, Compound...)Show SMILES Cc1cc(OCC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)no1 |r,wU:12.12,wD:9.8,(14.16,2.98,;12.62,2.98,;11.59,1.83,;10.18,2.46,;8.85,1.69,;7.52,2.46,;6.18,1.69,;6.18,.15,;4.85,2.46,;3.51,1.69,;2.18,2.46,;.85,1.69,;.85,.15,;-.49,-.62,;-1.82,.15,;-3.15,-.62,;-3.04,-2.16,;-4.17,-3.21,;-5.69,-2.98,;-6.46,-4.31,;-8,-4.31,;-8.77,-2.98,;-10.31,-2.98,;-11.08,-1.64,;-12.62,-1.64,;-13.39,-.31,;-13.39,-2.98,;-14.16,-1.64,;-8,-1.64,;-6.46,-1.64,;-5.9,-.21,;-4.43,.25,;2.18,-.62,;3.51,.15,;10.34,3.99,;11.85,4.31,)| Show InChI InChI=1S/C25H33F3N4O4/c1-17-14-24(31-36-17)34-15-22(33)29-20-5-2-18(3-6-20)8-11-32-12-9-19-4-7-23(30-21(19)10-13-32)35-16-25(26,27)28/h4,7,14,18,20H,2-3,5-6,8-13,15-16H2,1H3,(H,29,33)/t18-,20- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476838
(US10870660, Compound III-610 | US11345716, Compoun...)Show SMILES CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4sc(OCC(F)(F)F)nc4C3)CC2)C1=O |r,wU:15.16,wD:12.12,(11.85,-1.67,;11.08,-.33,;9.55,-.17,;9.23,1.33,;10.57,2.1,;10.57,3.64,;9.23,4.41,;7.9,3.64,;7.9,2.1,;6.56,1.33,;6.56,-.21,;5.23,2.1,;3.9,1.33,;2.56,2.1,;1.23,1.33,;1.23,-.21,;-.1,-.98,;-1.44,-.21,;-2.77,-.98,;-2.77,-2.52,;-4.1,-3.29,;-5.44,-2.52,;-6.9,-2.99,;-7.81,-1.75,;-9.35,-1.75,;-10.12,-3.08,;-11.66,-3.08,;-12.43,-4.41,;-13.2,-3.08,;-12.43,-1.75,;-6.9,-.5,;-5.44,-.98,;-4.1,-.21,;2.56,-.98,;3.9,-.21,;11.71,1.07,;13.2,1.47,)| Show InChI InChI=1S/C26H31F3N4O3S/c1-32-13-20-18(3-2-4-19(20)24(32)35)23(34)30-17-7-5-16(6-8-17)9-11-33-12-10-22-21(14-33)31-25(37-22)36-15-26(27,28)29/h2-4,16-17H,5-15H2,1H3,(H,30,34)/t16-,17- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593895
(US11578084, Compound I'-43)Show SMILES Cn1ncc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)n1 |r,wU:12.13,wD:9.8,12.12,(13.35,2.02,;11.81,2.02,;11,.71,;9.5,1.08,;9.39,2.61,;8.05,3.38,;6.72,2.61,;6.72,1.07,;5.39,3.38,;4.05,2.61,;2.72,3.38,;1.39,2.61,;1.39,1.07,;1.39,-.47,;.05,.3,;-1.28,1.07,;-2.62,.3,;-2.5,-1.23,;-3.63,-2.28,;-5.15,-2.05,;-5.92,-3.38,;-7.46,-3.38,;-8.23,-2.05,;-9.77,-2.05,;-10.54,-.72,;-12.08,-.72,;-12.85,.62,;-12.08,-2.26,;-13.35,-1.72,;-7.46,-.72,;-5.92,-.72,;-5.36,.72,;-3.89,1.17,;2.72,.3,;4.05,1.07,;10.81,3.2,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593911
(US11578084, Compound II-2)Show SMILES CN1Cc2c(cccc2C(=O)NC23CCC(CCN4CCc5nc(OCC(F)(F)F)sc5CC4)(CC2)CC3)C1=O | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476886
(US10870660, Compound I-073 | US11345716, Compound ...)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3sc(nc3C2)N2CC3CC3C2)CC1)c1cccc2ncccc12 |r,wU:6.6,wD:3.2,(7.14,-.77,;7.14,.77,;5.81,1.54,;4.47,.77,;3.14,1.54,;1.81,.77,;1.81,-.77,;.47,-1.54,;-.86,-.77,;-2.19,-1.54,;-2.19,-3.08,;-3.53,-3.85,;-4.86,-3.08,;-6.33,-3.56,;-7.23,-2.31,;-6.33,-1.06,;-4.86,-1.54,;-3.53,-.77,;-8.77,-2.31,;-9.68,-1.06,;-11.14,-1.54,;-12.48,-2.31,;-11.14,-3.08,;-9.68,-3.56,;3.14,-1.54,;4.47,-.77,;8.47,1.54,;8.47,3.08,;9.81,3.85,;11.14,3.08,;11.14,1.54,;12.48,.77,;12.48,-.77,;11.14,-1.54,;9.81,-.77,;9.81,.77,)| Show InChI InChI=1S/C29H35N5OS/c35-28(24-3-1-5-25-23(24)4-2-12-30-25)31-22-8-6-19(7-9-22)10-13-33-14-11-27-26(18-33)32-29(36-27)34-16-20-15-21(20)17-34/h1-5,12,19-22H,6-11,13-18H2,(H,31,35)/t19-,20?,21?,22- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593946
(US11578084, Compound III-9)Show SMILES Cn1ncc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4nc(OCC(F)(F)C(F)F)sc4CC3)CC2)n1 |r,wU:12.13,wD:9.8,12.12,(13.81,2.74,;12.27,2.74,;11.5,1.41,;10,1.73,;9.83,3.26,;8.5,4.03,;7.17,3.26,;7.17,1.72,;5.83,4.03,;4.5,3.26,;3.17,4.03,;1.83,3.26,;1.83,1.72,;1.83,.18,;.5,.95,;-.84,1.72,;-2.17,.95,;-3.44,1.82,;-4.91,1.36,;-5.48,-.07,;-6.98,-.39,;-7.14,-1.92,;-8.48,-2.69,;-9.81,-1.92,;-11.14,-2.69,;-11.91,-4.03,;-10.37,-4.03,;-12.48,-1.92,;-13.81,-2.69,;-12.48,-.38,;-5.74,-2.55,;-4.71,-1.41,;-3.18,-1.64,;-2.05,-.59,;3.17,.95,;4.5,1.72,;11.24,3.88,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593899
(US11578084, Compound I'-47)Show SMILES Cc1ncc(\C=C\C(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)cn1 |r,wU:13.14,wD:10.9,13.13,(14.04,4.54,;12.7,3.77,;12.7,2.23,;11.37,1.46,;10.03,2.23,;8.7,1.46,;7.37,2.23,;6.03,1.46,;6.03,-.08,;4.7,2.23,;3.37,1.46,;2.03,2.23,;.7,1.46,;.7,-.08,;.7,-1.62,;-.64,-.85,;-1.97,-.08,;-3.3,-.85,;-3.19,-2.39,;-4.32,-3.43,;-5.84,-3.21,;-6.61,-4.54,;-8.15,-4.54,;-8.92,-3.21,;-10.46,-3.21,;-11.23,-1.87,;-12.77,-1.87,;-13.54,-.54,;-12.77,-3.41,;-14.04,-2.87,;-8.15,-1.87,;-6.61,-1.87,;-6.05,-.44,;-4.58,.02,;2.03,-.85,;3.37,-.08,;10.03,3.77,;11.37,4.54,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593769
(US11578084, Compound I-052)Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(C)(F)F)sc4CC3)CC2)on1 |r,wU:11.11,wD:8.7,(12.95,2.77,;11.41,2.77,;10.5,4.02,;9.04,3.54,;7.7,4.31,;6.37,3.54,;6.37,2,;5.04,4.31,;3.7,3.54,;2.37,4.31,;1.04,3.54,;1.04,2,;-.3,1.23,;-1.63,2,;-2.97,1.23,;-4.32,1.96,;-5.74,1.36,;-6.15,-.19,;-7.61,-.67,;-7.61,-2.21,;-8.95,-2.98,;-10.28,-2.21,;-11.61,-2.98,;-12.95,-2.21,;-12.38,-4.31,;-10.84,-4.31,;-6.15,-2.69,;-5.24,-1.44,;-3.7,-1.44,;-2.69,-.28,;2.37,1.23,;3.7,2,;9.04,2,;10.5,1.53,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593917
(US11578084, Compound II-8)Show SMILES Cn1cc2c(cccc2n1)C(=O)NC12CCC(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)(CC1)CC2 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593846
(US11578084, Compound I-129)Show SMILES C[C@@H](Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)Cc3nnc(C)s3)CCc2n1)C(F)(F)F |r,wU:1.0,12.11,wD:15.18,(-9.51,.62,;-10.28,-.72,;-9.51,-2.05,;-7.97,-2.05,;-7.2,-3.38,;-5.66,-3.38,;-4.89,-2.05,;-3.36,-2.28,;-2.23,-1.23,;-2.35,.3,;-1.02,1.07,;.32,.3,;1.65,1.07,;1.65,2.61,;2.98,3.38,;4.32,2.61,;4.32,1.07,;2.98,.3,;5.65,3.38,;6.99,2.61,;6.99,1.07,;8.32,3.38,;9.65,2.61,;9.65,1.07,;11.12,.6,;12.02,1.84,;13.36,2.61,;11.12,3.09,;-3.62,1.17,;-5.09,.72,;-5.66,-.72,;-7.2,-.72,;-11.82,-.72,;-12.59,-2.05,;-12.59,.62,;-13.36,-.72,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476859
(US10870660, Compound II-005 | US11345716, Compound...)Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)s1 |r,wU:12.12,wD:9.8,(13.07,1.84,;11.53,1.84,;10.63,.6,;9.16,1.07,;9.16,2.61,;7.83,3.38,;6.5,2.61,;6.5,1.07,;5.16,3.38,;3.83,2.61,;2.5,3.38,;1.16,2.61,;1.16,1.07,;-.17,.3,;-1.5,1.07,;-2.84,.3,;-2.72,-1.23,;-3.85,-2.28,;-5.37,-2.05,;-6.14,-3.38,;-7.68,-3.38,;-8.45,-2.05,;-9.99,-2.05,;-10.76,-.72,;-12.3,-.72,;-13.07,-2.05,;-13.07,.62,;-7.68,-.72,;-6.14,-.72,;-5.58,.72,;-4.11,1.17,;2.5,.3,;3.83,1.07,;10.63,3.09,)| Show InChI InChI=1S/C25H34F2N4O2S/c1-17-28-15-21(34-17)14-24(32)29-20-5-2-18(3-6-20)8-11-31-12-9-19-4-7-25(33-16-23(26)27)30-22(19)10-13-31/h4,7,15,18,20,23H,2-3,5-6,8-14,16H2,1H3,(H,29,32)/t18-,20- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476795
(US10870660, Compound III-236 | US11345716, Compoun...)Show SMILES CCN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)OC2)C1=O |r| Show InChI InChI=1S/C29H35F3N4O4/c1-2-36-16-24-22(4-3-5-23(24)28(36)38)27(37)33-20-7-8-21(39-17-20)11-14-35-13-10-19-6-9-26(34-25(19)12-15-35)40-18-29(30,31)32/h3-6,9,20-21H,2,7-8,10-18H2,1H3,(H,33,37)/t20-,21+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593799
(US11578084, Compound I-082)Show SMILES Cc1ncc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OC5CC(F)(F)C5)sc4CC3)CC2)cn1 |r,wU:13.13,wD:10.9,(14.04,4.8,;12.71,4.03,;12.71,2.49,;11.37,1.72,;10.04,2.49,;8.7,1.72,;7.37,2.49,;6.04,1.72,;6.04,.18,;4.7,2.49,;3.37,1.72,;2.04,2.49,;.7,1.72,;.7,.18,;-.63,-.59,;-1.97,.18,;-3.3,-.59,;-4.66,.14,;-6.07,-.46,;-6.48,-2.02,;-7.95,-2.49,;-7.95,-4.03,;-9.28,-4.8,;-10.61,-4.03,;-11.01,-2.55,;-12.5,-2.94,;-14.04,-2.94,;-13.27,-1.61,;-12.1,-4.43,;-6.48,-4.51,;-5.58,-3.26,;-4.04,-3.26,;-3.02,-2.1,;2.04,-.59,;3.37,.18,;10.04,4.03,;11.37,4.8,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593944
(US11578084, Compound III-7)Show SMILES C[C@H](Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)Cc3nnc(C)o3)CCc2n1)C(F)(F)F |r,wU:12.11,wD:15.18,1.0,(-9.64,.62,;-10.41,-.72,;-9.64,-2.05,;-8.1,-2.05,;-7.33,-3.38,;-5.79,-3.38,;-5.02,-2.05,;-3.5,-2.28,;-2.37,-1.23,;-2.48,.3,;-1.15,1.07,;.18,.3,;1.52,1.07,;1.52,2.61,;2.85,3.38,;4.19,2.61,;4.19,1.07,;2.85,.3,;5.52,3.38,;6.85,2.61,;6.85,1.07,;8.19,3.38,;9.52,2.61,;9.68,1.08,;11.19,.76,;11.96,2.1,;13.49,2.26,;10.93,3.24,;-3.76,1.17,;-5.23,.72,;-5.79,-.72,;-7.33,-.72,;-11.95,-.72,;-12.72,.62,;-12.72,-2.05,;-13.49,-.72,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593879
(US11578084, Compound I'-27)Show SMILES Cn1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(C)(F)F)sc4CC3)CC2)c(F)n1 |r,wU:11.11,wD:8.7,(13.21,2.3,;11.67,2.3,;10.77,3.54,;9.3,3.07,;7.97,3.84,;6.63,3.07,;6.63,1.53,;5.3,3.84,;3.97,3.07,;2.63,3.84,;1.3,3.07,;1.3,1.53,;-.03,.76,;-1.37,1.53,;-2.7,.76,;-3.91,1.72,;-5.41,1.38,;-6.08,-.01,;-7.6,-.22,;-7.88,-1.73,;-9.21,-2.5,;-10.54,-1.73,;-11.88,-2.5,;-13.21,-1.73,;-11.11,-3.84,;-12.65,-3.84,;-6.52,-2.46,;-5.41,-1.4,;-3.91,-1.74,;-2.7,-.78,;2.63,.76,;3.97,1.53,;9.3,1.53,;7.97,.76,;10.77,1.05,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476842
(US10870660, Compound III-624 | US11345716, Compoun...)Show SMILES Cn1cc2c(cccc2n1)C(=O)NC1CC2(CC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)C2)C1 |(12.98,-1.91,;12.21,-.58,;10.67,-.42,;10.35,1.09,;9.02,1.86,;9.02,3.4,;10.35,4.17,;11.69,3.4,;11.69,1.86,;12.83,.83,;7.69,1.09,;7.69,-.45,;6.35,1.86,;5.02,1.09,;4.62,-.4,;3.13,,;2.73,-1.49,;1.25,-1.09,;-.09,-1.86,;-1.42,-1.09,;-2.75,-1.86,;-2.75,-3.4,;-4.09,-4.17,;-5.42,-3.4,;-6.89,-3.87,;-7.79,-2.63,;-9.33,-2.63,;-10.1,-1.3,;-11.64,-1.3,;-12.41,.04,;-11.64,-2.84,;-12.98,-2.07,;-6.89,-1.38,;-5.42,-1.86,;-4.09,-1.09,;1.65,.4,;3.53,1.49,)| Show InChI InChI=1S/C27H33F2N5O2S/c1-26(28,29)16-36-25-31-22-15-34(9-7-23(22)37-25)8-6-17-10-27(11-17)12-18(13-27)30-24(35)19-4-3-5-21-20(19)14-33(2)32-21/h3-5,14,17-18H,6-13,15-16H2,1-2H3,(H,30,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476869
(US10870660, Compound II-077 | US11345716, Compound...)Show SMILES COc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)on1 |r,wU:12.12,wD:9.8,(13.88,.76,;13.11,2.1,;11.57,2.1,;10.54,3.24,;9.13,2.61,;7.8,3.38,;6.46,2.61,;6.46,1.07,;5.13,3.38,;3.8,2.61,;2.46,3.38,;1.13,2.61,;1.13,1.07,;-.2,.3,;-1.54,1.07,;-2.87,.3,;-2.76,-1.23,;-3.89,-2.28,;-5.41,-2.05,;-6.18,-3.38,;-7.72,-3.38,;-8.49,-2.05,;-10.03,-2.05,;-10.8,-.72,;-12.34,-.72,;-13.11,.62,;-13.11,-2.05,;-13.88,-.72,;-7.72,-.72,;-6.18,-.72,;-5.62,.72,;-4.14,1.17,;2.46,.3,;3.8,1.07,;9.29,1.08,;10.8,.76,)| Show InChI InChI=1S/C25H33F3N4O4/c1-34-24-15-20(36-31-24)14-22(33)29-19-5-2-17(3-6-19)8-11-32-12-9-18-4-7-23(30-21(18)10-13-32)35-16-25(26,27)28/h4,7,15,17,19H,2-3,5-6,8-14,16H2,1H3,(H,29,33)/t17-,19- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM593743
(US11578084, Compound I-026)Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)o1 |r,wU:12.13,wD:9.8,12.12,(13.07,1.84,;11.53,1.84,;10.63,.6,;9.16,1.07,;9.16,2.61,;7.83,3.38,;6.5,2.61,;6.5,1.07,;5.16,3.38,;3.83,2.61,;2.5,3.38,;1.16,2.61,;1.16,1.07,;1.16,-.47,;-.17,.3,;-1.5,1.07,;-2.84,.3,;-2.72,-1.23,;-3.85,-2.28,;-5.37,-2.05,;-6.14,-3.38,;-7.68,-3.38,;-8.45,-2.05,;-9.99,-2.05,;-10.76,-.72,;-12.3,-.72,;-13.07,.62,;-13.07,-2.05,;-7.68,-.72,;-6.14,-.72,;-5.58,.72,;-4.11,1.17,;2.5,.3,;3.83,1.07,;10.63,3.09,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2CF9V1Q |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM476870
(US10870660, Compound II-085 | US11345716, Compound...)Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)o1 |r,wU:12.12,wD:9.8,(13.24,2.65,;11.7,2.65,;10.93,1.32,;9.43,1.64,;9.27,3.17,;7.93,3.94,;6.6,3.17,;6.6,1.63,;5.27,3.94,;3.93,3.17,;2.6,3.94,;1.27,3.17,;1.27,1.63,;-.07,.86,;-1.4,1.63,;-2.74,.86,;-3.94,1.82,;-5.44,1.48,;-6.11,.09,;-7.64,-.12,;-7.91,-1.63,;-9.24,-2.4,;-10.58,-1.63,;-11.91,-2.4,;-13.24,-3.17,;-13.24,-1.63,;-11.91,-3.94,;-6.55,-2.36,;-5.44,-1.3,;-3.94,-1.64,;-2.74,-.68,;2.6,.86,;3.93,1.63,;10.67,3.8,)| Show InChI InChI=1S/C23H31F3N4O3S/c1-15-27-13-18(33-15)12-21(31)28-17-4-2-16(3-5-17)6-9-30-10-7-19-20(8-11-30)34-22(29-19)32-14-23(24,25)26/h13,16-17H,2-12,14H2,1H3,(H,28,31)/t16-,17- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SHIONOGI & CO., LTD.
US Patent
| Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent... |
US Patent US10870660 (2020)
BindingDB Entry DOI: 10.7270/Q2M61PBD |
More data for this
Ligand-Target Pair | |
Search and Browse
