BindingDB logo
myBDB logout

Patent code US10870660

Compile Data Set for Download or QSAR

Found 278 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476758
PNG
(US10870660, Compound III-024)
Show SMILES CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)C1=O
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0120n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476918
PNG
(US10870660, Compound II-057)
Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)F)nc3CC2)CC1
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0140n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476915
PNG
(US10870660, Compound II-047)
Show SMILES CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)C1=O
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0220n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476764
PNG
(US10870660, Compound III-064)
Show SMILES CC(Oc1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4C(=O)N(C)Cc34)CCc2s1)C(F)(F)F
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0260n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476836
PNG
(US10870660, Compound III-581)
Show SMILES Cc1cc(OCC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)N3CC(F)(F)C3)CC2)no1
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0350n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476923
PNG
(US10870660, Compound II-081)
Show SMILES CCn1c(cccc1=O)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)CC1
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0480n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476834
PNG
(US10870660, Compound III-578)
Show SMILES COc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)N3CC(F)(F)C3)CC2)on1
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476858
PNG
(US10870660, Compound III-706)
Show SMILES Cc1nc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)N3CC(F)(F)C3)CC2)cs1
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0510n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476924
PNG
(US10870660, Compound II-084)
Show SMILES CN(CC(F)(F)F)c1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)Cc3cnc(C)s3)CCc2s1
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0520n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476773
PNG
(US10870660, Compound III-138)
Show SMILES Cn1cc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0570n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476914
PNG
(US10870660, Compound II-041)
Show SMILES COc1cc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)on1
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0580n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476925
PNG
(US10870660, Compound II-087)
Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)OC1
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0590n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476759
PNG
(US10870660, Compound III-027)
Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(C)(F)F)nc3CC2)CC1
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0640n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476866
PNG
(US10870660, Compound II-053)
Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)s1
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0670n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476922
PNG
(US10870660, Compound II-078)
Show SMILES Cc1cc(OCC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)no1
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0750n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476838
PNG
(US10870660, Compound III-610)
Show SMILES CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4sc(OCC(F)(F)F)nc4C3)CC2)C1=O
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0770n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476886
PNG
(US10870660, Compound I-073)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3sc(nc3C2)N2CC3CC3C2)CC1)c1cccc2ncccc12
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0800n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476859
PNG
(US10870660, Compound II-005)
Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)s1
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0850n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476795
PNG
(US10870660, Compound III-236)
Show SMILES CCN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)OC2)C1=O
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0860n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476842
PNG
(US10870660, Compound III-624)
Show SMILES Cn1cc2c(cccc2n1)C(=O)NC1CC2(CC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)C2)C1
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0920n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476869
PNG
(US10870660, Compound II-077)
Show SMILES COc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)on1
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0950n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476870
PNG
(US10870660, Compound II-085)
Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)o1
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

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0960n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476851
PNG
(US10870660, Compound III-685)
Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3sc(CCC(F)F)nc3C2)CC1
Show InChI InChI=1S/C26H33F2N5OS/c1-32-15-20-19(3-2-4-21(20)31-32)26(34)29-18-7-5-17(6-8-18)11-13-33-14-12-23-22(16-33)30-25(35-23)10-9-24(27)28/h2-4,15,17-18,24H,5-14,16H2,1H3,(H,29,34)/t17-,18-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.100n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476927
PNG
(US10870660, Compound II-105)
Show SMILES FC(F)(F)COc1ccc2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CCc2n1
Show InChI InChI=1S/C24H27F3N4O2/c25-24(26,27)16-33-22-8-7-17-9-13-31(14-10-20(17)30-22)12-4-3-11-28-23(32)21-15-18-5-1-2-6-19(18)29-21/h1-2,5-8,15,29H,3-4,9-14,16H2,(H,28,32)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.110n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476816
PNG
(US10870660, Compound III-280)
Show SMILES FC(F)COc1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4CC(=O)Nc34)CCc2s1
Show InChI InChI=1S/C26H32F2N4O3S/c27-22(28)15-35-26-30-20-9-12-32(13-10-21(20)36-26)11-8-16-4-6-18(7-5-16)29-25(34)19-3-1-2-17-14-23(33)31-24(17)19/h1-3,16,18,22H,4-15H2,(H,29,34)(H,31,33)/t16-,18-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.110n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476769
PNG
(US10870660, Compound III-102)
Show SMILES Cn1cc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)cn1
Show InChI InChI=1S/C25H33F4N5O2/c1-33-16-18(15-30-33)14-22(35)31-20-4-8-24(26,9-5-20)10-13-34-11-6-19-2-3-23(32-21(19)7-12-34)36-17-25(27,28)29/h2-3,15-16,20H,4-14,17H2,1H3,(H,31,35)/t20-,24+
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.110n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476815
PNG
(US10870660, Compound III-274)
Show SMILES Cc1ncc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)F)sc4CC3)CC2)s1
Show InChI InChI=1S/C24H32F2N4O2S2/c1-16-27-14-19(33-16)6-7-23(31)28-18-4-2-17(3-5-18)8-11-30-12-9-20-21(10-13-30)34-24(29-20)32-15-22(25)26/h6-7,14,17-18,22H,2-5,8-13,15H2,1H3,(H,28,31)/b7-6+/t17-,18-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.120n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476772
PNG
(US10870660, Compound III-128)
Show SMILES Cn1c(cccc1=O)C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OCC(F)(F)F)sc3CC2)CC1
Show InChI InChI=1S/C24H31F3N4O3S/c1-30-19(3-2-4-21(30)32)22(33)28-17-7-5-16(6-8-17)9-12-31-13-10-18-20(11-14-31)35-23(29-18)34-15-24(25,26)27/h2-4,16-17H,5-15H2,1H3,(H,28,33)/t16-,17-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.120n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476862
PNG
(US10870660, Compound II-029)
Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(C)(F)F)sc4CC3)CC2)o1
Show InChI InChI=1S/C24H34F2N4O3S/c1-16-27-14-19(33-16)13-22(31)28-18-5-3-17(4-6-18)7-10-30-11-8-20-21(9-12-30)34-23(29-20)32-15-24(2,25)26/h14,17-18H,3-13,15H2,1-2H3,(H,28,31)/t17-,18-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.120n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476887
PNG
(US10870660, Compound I-098)
Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)C3CC(F)(F)C3)CC2)on1
Show InChI InChI=1S/C24H32F2N4O2S/c1-15-10-19(32-29-15)11-22(31)27-18-4-2-16(3-5-18)6-8-30-9-7-21-20(14-30)28-23(33-21)17-12-24(25,26)13-17/h10,16-18H,2-9,11-14H2,1H3,(H,27,31)/t16-,18-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.120n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476763
PNG
(US10870660, Compound III-063)
Show SMILES CC(Oc1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4nn(C)cc34)CCc2s1)C(F)(F)F
Show InChI InChI=1S/C27H34F3N5O2S/c1-17(27(28,29)30)37-26-32-23-11-14-35(15-12-24(23)38-26)13-10-18-6-8-19(9-7-18)31-25(36)20-4-3-5-22-21(20)16-34(2)33-22/h3-5,16-19H,6-15H2,1-2H3,(H,31,36)/t17?,18-,19-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.130n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476779
PNG
(US10870660, Compound III-168)
Show SMILES Cn1cc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)OC2)cn1
Show InChI InChI=1S/C23H30F3N5O3S/c1-30-13-16(12-27-30)2-5-21(32)28-17-3-4-18(33-14-17)6-9-31-10-7-19-20(8-11-31)35-22(29-19)34-15-23(24,25)26/h2,5,12-13,17-18H,3-4,6-11,14-15H2,1H3,(H,28,32)/b5-2+/t17-,18+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.130n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476882
PNG
(US10870660, Compound I-071)
Show SMILES CC(F)(F)COc1nc2CN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4ncccc34)CCc2s1
Show InChI InChI=1S/C27H32F2N4O2S/c1-27(28,29)17-35-26-32-23-16-33(15-12-24(23)36-26)14-11-18-7-9-19(10-8-18)31-25(34)21-4-2-6-22-20(21)5-3-13-30-22/h2-6,13,18-19H,7-12,14-17H2,1H3,(H,31,34)/t18-,19-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.130n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476757
PNG
(US10870660, Compound III-019)
Show SMILES Cc1nc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)no1
Show InChI InChI=1S/C25H35F2N5O3/c1-17-28-22(31-35-17)15-23(33)29-20-6-3-18(4-7-20)9-12-32-13-10-19-5-8-24(30-21(19)11-14-32)34-16-25(2,26)27/h5,8,18,20H,3-4,6-7,9-16H2,1-2H3,(H,29,33)/t18-,20-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.140n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476809
PNG
(US10870660, Compound III-266)
Show SMILES Cc1cnc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)o1
Show InChI InChI=1S/C23H30F4N4O3S/c1-15-13-28-20(34-15)12-19(32)29-16-2-6-22(24,7-3-16)8-11-31-9-4-17-18(5-10-31)35-21(30-17)33-14-23(25,26)27/h13,16H,2-12,14H2,1H3,(H,29,32)/t16-,22+
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.150n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476855
PNG
(US10870660, Compound III-701)
Show SMILES CCN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4sc(CCC(F)(F)F)nc4C3)CC2)C1=O
Show InChI InChI=1S/C28H35F3N4O2S/c1-2-35-16-22-20(4-3-5-21(22)27(35)37)26(36)32-19-8-6-18(7-9-19)11-14-34-15-12-24-23(17-34)33-25(38-24)10-13-28(29,30)31/h3-5,18-19H,2,6-17H2,1H3,(H,32,36)/t18-,19-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.150n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476843
PNG
(US10870660, Compound III-630)
Show SMILES Cn1ccc2c(cccc2c1=O)C(=O)N[C@H]1CC[C@H](CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1
Show InChI InChI=1S/C28H34F2N4O3S/c1-28(29,30)17-37-27-32-23-16-34(15-12-24(23)38-27)14-10-18-6-8-19(9-7-18)31-25(35)21-4-3-5-22-20(21)11-13-33(2)26(22)36/h3-5,11,13,18-19H,6-10,12,14-17H2,1-2H3,(H,31,35)/t18-,19-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.160n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476791
PNG
(US10870660, Compound III-228)
Show SMILES Cc1cc2c(cccn2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(F)(F)F)nc3CC2)OC1
Show InChI InChI=1S/C27H32F3N5O3/c1-18-15-24-22(3-2-11-35(24)33-18)26(36)31-20-5-6-21(37-16-20)9-13-34-12-8-19-4-7-25(32-23(19)10-14-34)38-17-27(28,29)30/h2-4,7,11,15,20-21H,5-6,8-10,12-14,16-17H2,1H3,(H,31,36)/t20-,21+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.160n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476863
PNG
(US10870660, Compound II-046)
Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OCC(F)(F)F)sc3CC2)CC1
Show InChI InChI=1S/C26H32F3N5O2S/c1-33-15-20-19(3-2-4-21(20)32-33)24(35)30-18-7-5-17(6-8-18)9-12-34-13-10-22-23(11-14-34)37-25(31-22)36-16-26(27,28)29/h2-4,15,17-18H,5-14,16H2,1H3,(H,30,35)/t17-,18-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.200n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476852
PNG
(US10870660, Compound III-696)
Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(CCC(F)(F)F)nc4C3)CC2)o1
Show InChI InChI=1S/C23H31F3N4O2S/c1-15-27-13-18(32-15)12-21(31)28-17-4-2-16(3-5-17)7-10-30-11-8-20-19(14-30)29-22(33-20)6-9-23(24,25)26/h13,16-17H,2-12,14H2,1H3,(H,28,31)/t16-,17-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.200n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476787
PNG
(US10870660, Compound III-199)
Show SMILES COc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)OC2)on1
Show InChI InChI=1S/C22H29F3N4O5S/c1-31-20-11-16(34-28-20)10-19(30)26-14-2-3-15(32-12-14)4-7-29-8-5-17-18(6-9-29)35-21(27-17)33-13-22(23,24)25/h11,14-15H,2-10,12-13H2,1H3,(H,26,30)/t14-,15+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.200n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476849
PNG
(US10870660, Compound III-666)
Show SMILES Cn1cc2c(ccc(F)c2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1
Show InChI InChI=1S/C26H32F3N5O2S/c1-26(28,29)15-36-25-31-21-14-34(12-10-22(21)37-25)11-9-16-3-5-17(6-4-16)30-24(35)18-7-8-20(27)23-19(18)13-33(2)32-23/h7-8,13,16-17H,3-6,9-12,14-15H2,1-2H3,(H,30,35)/t16-,17-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.200n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476861
PNG
(US10870660, Compound II-026)
Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OCC(F)F)sc3CC2)CC1
Show InChI InChI=1S/C26H33F2N5O2S/c1-32-15-20-19(3-2-4-21(20)31-32)25(34)29-18-7-5-17(6-8-18)9-12-33-13-10-22-23(11-14-33)36-26(30-22)35-16-24(27)28/h2-4,15,17-18,24H,5-14,16H2,1H3,(H,29,34)/t17-,18-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.200n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476761
PNG
(US10870660, Compound III-037)
Show SMILES Cn1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1
Show InChI InChI=1S/C23H32F3N5O2S/c1-30-14-17(13-27-30)12-21(32)28-18-4-2-16(3-5-18)6-9-31-10-7-19-20(8-11-31)34-22(29-19)33-15-23(24,25)26/h13-14,16,18H,2-12,15H2,1H3,(H,28,32)/t16-,18-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.200n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476807
PNG
(US10870660, Compound III-262)
Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)o1
Show InChI InChI=1S/C23H30F4N4O3S/c1-15-28-13-17(34-15)12-20(32)29-16-2-6-22(24,7-3-16)8-11-31-9-4-18-19(5-10-31)35-21(30-18)33-14-23(25,26)27/h13,16H,2-12,14H2,1H3,(H,29,32)/t16-,22+
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.220n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476853
PNG
(US10870660, Compound III-697)
Show SMILES CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4sc(CCC(F)(F)F)nc4C3)CC2)C1=O
Show InChI InChI=1S/C27H33F3N4O2S/c1-33-15-21-19(3-2-4-20(21)26(33)36)25(35)31-18-7-5-17(6-8-18)10-13-34-14-11-23-22(16-34)32-24(37-23)9-12-27(28,29)30/h2-4,17-18H,5-16H2,1H3,(H,31,35)/t17-,18-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.230n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476819
PNG
(US10870660, Compound III-441)
Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1
Show InChI InChI=1S/C26H33F2N5O2S/c1-26(27,28)16-35-25-30-22-15-33(13-11-23(22)36-25)12-10-17-6-8-18(9-7-17)29-24(34)19-4-3-5-21-20(19)14-32(2)31-21/h3-5,14,17-18H,6-13,15-16H2,1-2H3,(H,29,34)/t17-,18-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.240n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476917
PNG
(US10870660, Compound II-055)
Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)s1
Show InChI InChI=1S/C26H35F3N4OS/c1-18-30-17-23(35-18)16-25(34)32-21-5-2-19(3-6-21)9-13-33-14-10-20-4-7-22(8-12-26(27,28)29)31-24(20)11-15-33/h4,7,17,19,21H,2-3,5-6,8-16H2,1H3,(H,32,34)/t19-,21-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.240n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476796
PNG
(US10870660, Compound III-244)
Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OC4CC(F)(F)C4)sc3CC2)CC1
Show InChI InChI=1S/C28H35F2N5O2S/c1-34-17-22-21(3-2-4-23(22)33-34)26(36)31-19-7-5-18(6-8-19)9-12-35-13-10-24-25(11-14-35)38-27(32-24)37-20-15-28(29,30)16-20/h2-4,17-20H,5-16H2,1H3,(H,31,36)/t18-,19-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.240n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM476715
PNG
(US10870660, Compound III-008)
Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4cc(C)c(OCC(F)F)nc4CC3)OC2)s1
Show InChI InChI=1S/C25H34F2N4O3S/c1-16-11-18-5-8-31(10-7-22(18)30-25(16)34-15-23(26)27)9-6-20-4-3-19(14-33-20)29-24(32)12-21-13-28-17(2)35-21/h11,13,19-20,23H,3-10,12,14-15H2,1-2H3,(H,29,32)/t19-,20+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.25n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 278 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%