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Compile Data Set for Download or QSAR

Found 98 hits with Last Name = 'chino' and Initial = 'y'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315427
PNG
((1S)-1,5-Anhydro-1-[4-chloro-3-[4-(methylsulfanyl)...)
Show SMILES CSc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO4S2/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315431
PNG
((1S)-1,5-Anhydro-1-[4-chloro-3-(4-methylbenzyl)phe...)
Show SMILES Cc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO4S/c1-11-2-4-12(5-3-11)8-14-9-13(6-7-15(14)21)20-19(25)18(24)17(23)16(10-22)26-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315423
PNG
((1S)-1,5-Anhydro-1-[4-chloro-5-(4-ethylbenzyl)-2-m...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2Cl)cc1 |r|
Show InChI InChI=1S/C22H27ClO5S/c1-3-12-4-6-13(7-5-12)8-14-9-15(17(28-2)10-16(14)23)22-21(27)20(26)19(25)18(11-24)29-22/h4-7,9-10,18-22,24-27H,3,8,11H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315432
PNG
((1S)-1,5-Anhydro-1-[4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C20H23ClO5S/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315425
PNG
((1S)-1,5-Anhydro-1-[5-(4-ethylbenzyl)-2-methoxy-4-...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1 |r|
Show InChI InChI=1S/C23H30O5S/c1-4-14-5-7-15(8-6-14)10-16-11-17(18(28-3)9-13(16)2)23-22(27)21(26)20(25)19(12-24)29-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315436
PNG
((1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO5S/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315430
PNG
((1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethylbenzyl)phen...)
Show SMILES CCc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO4S/c1-2-12-3-5-13(6-4-12)9-15-10-14(7-8-16(15)22)21-20(26)19(25)18(24)17(11-23)27-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315426
PNG
((1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4...)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1 |r|
Show InChI InChI=1S/C23H30O6S/c1-4-29-16-7-5-14(6-8-16)10-15-11-17(18(28-3)9-13(15)2)23-22(27)21(26)20(25)19(12-24)30-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315418
PNG
((1S)-1,5-Anhydro-1-[3-(4-ethoxybenzyl)-4-methylphe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2C)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H28O5S/c1-3-27-17-8-5-14(6-9-17)10-16-11-15(7-4-13(16)2)22-21(26)20(25)19(24)18(12-23)28-22/h4-9,11,18-26H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315424
PNG
((1S)-1,5-Anhydro-1-[2-methoxy-4-methyl-5-[4-(propa...)
Show SMILES COc1cc(C)c(Cc2ccc(cc2)C(C)C)cc1[C@@H]1S[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H32O5S/c1-13(2)16-7-5-15(6-8-16)10-17-11-18(19(29-4)9-14(17)3)24-23(28)22(27)21(26)20(12-25)30-24/h5-9,11,13,20-28H,10,12H2,1-4H3/t20-,21-,22+,23-,24+/m1/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM363976
PNG
(N-[(exo)-8-(tert-Butylcarbamoyl)methyl-8-azabicycl...)
Show SMILES CC(C)(C)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H](CNC(=O)c1coc3ccccc13)C2 |r,THB:7:8:13.14.28:10.11|
Show InChI InChI=1S/C23H31N3O3/c1-23(2,3)25-21(27)13-26-16-8-9-17(26)11-15(10-16)12-24-22(28)19-14-29-20-7-5-4-6-18(19)20/h4-7,14-17H,8-13H2,1-3H3,(H,24,28)(H,25,27)/t15-,16-,17+
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315429
PNG
((1S)-1,5-Anhydro-1-[4-chloro-3-[4-(propan-2-yl)ben...)
Show SMILES CC(C)c1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H27ClO4S/c1-12(2)14-5-3-13(4-6-14)9-16-10-15(7-8-17(16)23)22-21(27)20(26)19(25)18(11-24)28-22/h3-8,10,12,18-22,24-27H,9,11H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315419
PNG
((1S)-1,5-Anhydro-1-[3-(4-ethoxybenzyl)-4-fluorophe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2F)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25FO5S/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 9.40n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM364007
PNG
(US9856250, 84)
Show SMILES CCC1=C(C2C=CC=CC2O1)C(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(C)(C)C |r,c:5,7,t:2,THB:23:22:21.15.16:18.19|
Show InChI InChI=1S/C25H37N3O3/c1-5-20-23(19-8-6-7-9-21(19)31-20)24(30)26-14-16-12-17-10-11-18(13-16)28(17)15-22(29)27-25(2,3)4/h6-9,16-19,21H,5,10-15H2,1-4H3,(H,26,30)(H,27,29)/t16-,17-,18+,19?,21?
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315433
PNG
((1S)-1,5-Anhydro-1-[2,4-dimethoxy-5-(4-ethoxybenzy...)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2OC)cc1 |r|
Show InChI InChI=1S/C23H30O7S/c1-4-30-15-7-5-13(6-8-15)9-14-10-16(18(29-3)11-17(14)28-2)23-22(27)21(26)20(25)19(12-24)31-23/h5-8,10-11,19-27H,4,9,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315420
PNG
((1S)-1,5-Anhydro-1-[3-(4-ethoxybenzyl)-4-methoxyph...)
Show SMILES CCOc1ccc(Cc2cc(ccc2OC)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H28O6S/c1-3-28-16-7-4-13(5-8-16)10-15-11-14(6-9-17(15)27-2)22-21(26)20(25)19(24)18(12-23)29-22/h4-9,11,18-26H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM364014
PNG
(3-Chloro-5-fluoro-N-{(exo)-8-[(2-methoxy-1,1-dimet...)
Show SMILES COCC(C)(C)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)C2 |r,THB:9:10:15.16.29:12.13|
Show InChI InChI=1S/C22H31ClFN3O3/c1-22(2,13-30-3)26-20(28)12-27-18-4-5-19(27)7-14(6-18)11-25-21(29)15-8-16(23)10-17(24)9-15/h8-10,14,18-19H,4-7,11-13H2,1-3H3,(H,25,29)(H,26,28)/t14-,18-,19+
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM364008
PNG
(US9856250, 85)
Show SMILES CC1=C(C2C=CC=CC2O1)C(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(C)(C)C |r,c:4,6,t:1,THB:22:21:20.14.15:17.18|
Show InChI InChI=1S/C24H35N3O3/c1-15-22(19-7-5-6-8-20(19)30-15)23(29)25-13-16-11-17-9-10-18(12-16)27(17)14-21(28)26-24(2,3)4/h5-8,16-20H,9-14H2,1-4H3,(H,25,29)(H,26,28)/t16-,17-,18+,19?,20?
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315435
PNG
((1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-hydroxyph...)
Show SMILES CCOc1ccc(Cc2ccc(O)c(c2)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H26O6S/c1-2-27-14-6-3-12(4-7-14)9-13-5-8-16(23)15(10-13)21-20(26)19(25)18(24)17(11-22)28-21/h3-8,10,17-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315428
PNG
((1S)-1,5-Anhydro-1-[3-(4-tert-butylbenzyl)-4-chlor...)
Show SMILES CC(C)(C)c1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H29ClO4S/c1-23(2,3)16-7-4-13(5-8-16)10-15-11-14(6-9-17(15)24)22-21(28)20(27)19(26)18(12-25)29-22/h4-9,11,18-22,25-28H,10,12H2,1-3H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM363992
PNG
(US9856250, 54)
Show SMILES CC(C)(C)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H](CNC(=O)c1cc(O)cc(Cl)c1)C2 |r,THB:7:8:13.14.27:10.11|
Show InChI InChI=1S/C21H30ClN3O3/c1-21(2,3)24-19(27)12-25-16-4-5-17(25)7-13(6-16)11-23-20(28)14-8-15(22)10-18(26)9-14/h8-10,13,16-17,26H,4-7,11-12H2,1-3H3,(H,23,28)(H,24,27)/t13-,16-,17+
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM364003
PNG
(US9856250, 77)
Show SMILES Cc1ccc(cc1)C(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(C)(C)C |r,THB:19:18:17.11.12:14.15|
Show InChI InChI=1S/C22H33N3O2/c1-15-5-7-17(8-6-15)21(27)23-13-16-11-18-9-10-19(12-16)25(18)14-20(26)24-22(2,3)4/h5-8,16,18-19H,9-14H2,1-4H3,(H,23,27)(H,24,26)/t16-,18-,19+
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM363994
PNG
(US9856250, 56)
Show SMILES CCc1cc(F)cc(c1)C(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(C)(C)C |r,THB:21:20:19.13.14:16.17|
Show InChI InChI=1S/C23H34FN3O2/c1-5-15-8-17(12-18(24)9-15)22(29)25-13-16-10-19-6-7-20(11-16)27(19)14-21(28)26-23(2,3)4/h8-9,12,16,19-20H,5-7,10-11,13-14H2,1-4H3,(H,25,29)(H,26,28)/t16-,19-,20+
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n/an/a 34n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM363993
PNG
(US9856250, 55)
Show SMILES Cc1cc(F)cc(c1)C(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(C)(C)C |r,THB:20:19:18.12.13:15.16|
Show InChI InChI=1S/C22H32FN3O2/c1-14-7-16(11-17(23)8-14)21(28)24-12-15-9-18-5-6-19(10-15)26(18)13-20(27)25-22(2,3)4/h7-8,11,15,18-19H,5-6,9-10,12-13H2,1-4H3,(H,24,28)(H,25,27)/t15-,18-,19+
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n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50315434
PNG
((1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxyph...)
Show SMILES CCOc1ccc(Cc2ccc(OC)c(c2)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H28O6S/c1-3-28-15-7-4-13(5-8-15)10-14-6-9-17(27-2)16(11-14)22-21(26)20(25)19(24)18(12-23)29-22/h4-9,11,18-26H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM364020
PNG
(US9856250, 113)
Show SMILES CC(C)(C)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)C2 |r,THB:7:8:13.14.27:10.11|
Show InChI InChI=1S/C21H29ClFN3O2/c1-21(2,3)25-19(27)12-26-17-4-5-18(26)7-13(6-17)11-24-20(28)14-8-15(22)10-16(23)9-14/h8-10,13,17-18H,4-7,11-12H2,1-3H3,(H,24,28)(H,25,27)/t13-,17-,18+
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n/an/a 39n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM363998
PNG
(US9856250, 67)
Show SMILES CC(C)(C)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H](CNC(=O)C1C(C)(C)C1(C)C)C2 |r,THB:7:8:13.14.26:10.11|
Show InChI InChI=1S/C22H39N3O2/c1-20(2,3)24-17(26)13-25-15-8-9-16(25)11-14(10-15)12-23-19(27)18-21(4,5)22(18,6)7/h14-16,18H,8-13H2,1-7H3,(H,23,27)(H,24,26)/t14-,15-,16+
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n/an/a 42n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM364004
PNG
(US9856250, 78)
Show SMILES CC(C)(C)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H](CNC(=O)c1ccc(F)cc1)C2 |r,THB:7:8:13.14.26:10.11|
Show InChI InChI=1S/C21H30FN3O2/c1-21(2,3)24-19(26)13-25-17-8-9-18(25)11-14(10-17)12-23-20(27)15-4-6-16(22)7-5-15/h4-7,14,17-18H,8-13H2,1-3H3,(H,23,27)(H,24,26)/t14-,17-,18+
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n/an/a 44n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM364104
PNG
(N-[(endo)-8-(tert-Butylcarbamoyl)methyl-8-azabicyc...)
Show SMILES CC(C)(C)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H](CNC(=O)C13CC4CC(CC(C4)C1)C3)C2 |r,TLB:26:25:28:22.20.21,THB:7:8:13.14.29:11.10,24:25:28.23.22:20|
Show InChI InChI=1S/C25H41N3O2/c1-24(2,3)27-22(29)15-28-20-4-5-21(28)10-19(9-20)14-26-23(30)25-11-16-6-17(12-25)8-18(7-16)13-25/h16-21H,4-15H2,1-3H3,(H,26,30)(H,27,29)/t16?,17?,18?,19-,20+,21-,25?
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n/an/a 44n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM364005
PNG
(US9856250, 79)
Show SMILES CC(C)(C)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H](CNC(=O)c1cc(F)cc(c1)C#C)C2 |r,THB:7:8:13.14.28:10.11|
Show InChI InChI=1S/C23H30FN3O2/c1-5-15-8-17(12-18(24)9-15)22(29)25-13-16-10-19-6-7-20(11-16)27(19)14-21(28)26-23(2,3)4/h1,8-9,12,16,19-20H,6-7,10-11,13-14H2,2-4H3,(H,25,29)(H,26,28)/t16-,19-,20+
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n/an/a 45n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM363977
PNG
(US9856250, 16)
Show SMILES CC(C)(C)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H](CNC(=O)c1csc3CCCCc13)C2 |r,THB:7:8:13.14.28:10.11|
Show InChI InChI=1S/C23H35N3O2S/c1-23(2,3)25-21(27)13-26-16-8-9-17(26)11-15(10-16)12-24-22(28)19-14-29-20-7-5-4-6-18(19)20/h14-17H,4-13H2,1-3H3,(H,24,28)(H,25,27)/t15-,16-,17+
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Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM363990
PNG
(US9856250, 52)
Show SMILES CC(C)(C)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H](CNC(=O)c1cccc(Cl)c1)C2 |r,THB:7:8:13.14.26:10.11|
Show InChI InChI=1S/C21H30ClN3O2/c1-21(2,3)24-19(26)13-25-17-7-8-18(25)10-14(9-17)12-23-20(27)15-5-4-6-16(22)11-15/h4-6,11,14,17-18H,7-10,12-13H2,1-3H3,(H,23,27)(H,24,26)/t14-,17-,18+
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n/an/a 48n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM363979
PNG
(US9856250, 19)
Show SMILES Cc1oc2CCCCc2c1NC(=O)C[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(C)(C)C |r,THB:22:21:20.14.15:17.18|
Show InChI InChI=1S/C24H37N3O3/c1-15-23(19-7-5-6-8-20(19)30-15)25-21(28)13-16-11-17-9-10-18(12-16)27(17)14-22(29)26-24(2,3)4/h16-18H,5-14H2,1-4H3,(H,25,28)(H,26,29)/t16-,17-,18+
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n/an/a 48n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM363991
PNG
(US9856250, 53)
Show SMILES COc1cc(Cl)cc(c1)C(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(C)(C)C |r,THB:21:20:19.13.14:16.17|
Show InChI InChI=1S/C22H32ClN3O3/c1-22(2,3)25-20(27)13-26-17-5-6-18(26)8-14(7-17)12-24-21(28)15-9-16(23)11-19(10-15)29-4/h9-11,14,17-18H,5-8,12-13H2,1-4H3,(H,24,28)(H,25,27)/t14-,17-,18+
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n/an/a 49n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM363987
PNG
(US9856250, 36)
Show SMILES CCN1C=C(C2C=CC=CC12)C(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(C)(C)C |r,c:3,6,8,THB:23:22:21.15.16:18.19|
Show InChI InChI=1S/C25H38N4O2/c1-5-28-15-21(20-8-6-7-9-22(20)28)24(31)26-14-17-12-18-10-11-19(13-17)29(18)16-23(30)27-25(2,3)4/h6-9,15,17-20,22H,5,10-14,16H2,1-4H3,(H,26,31)(H,27,30)/t17-,18-,19+,20?,22?
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n/an/a 49n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM364015
PNG
(US9856250, 107)
Show SMILES CC(C)(C)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H](CNC(=C)C13CC4CC(CC(C4)C1)C3)C2 |r,TLB:26:25:28:22.21.20,THB:7:8:13.14.29:10.11,24:25:28.23.22:20|
Show InChI InChI=1S/C26H43N3O/c1-17(26-12-18-7-19(13-26)9-20(8-18)14-26)27-15-21-10-22-5-6-23(11-21)29(22)16-24(30)28-25(2,3)4/h18-23,27H,1,5-16H2,2-4H3,(H,28,30)/t18?,19?,20?,21-,22-,23+,26?
PDB

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n/an/a 49n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM364108
PNG
(US9856250, 160)
Show SMILES Cn1nc(cc1C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(C)(C)C)C1CC1 |r,THB:18:17:16.10.11:14.13|
Show InChI InChI=1S/C22H35N5O2/c1-22(2,3)24-20(28)13-27-16-7-8-17(27)10-14(9-16)12-23-21(29)19-11-18(15-5-6-15)25-26(19)4/h11,14-17H,5-10,12-13H2,1-4H3,(H,23,29)(H,24,28)/t14-,16+,17-
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n/an/a 49n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM364103
PNG
(US9856250, 131)
Show SMILES CC(C)(C)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H](CC(=O)NC13CC4CC1CC(C3)C4)C2 |r,TLB:22:21:23.24:26,THB:7:8:13.14.28:11.10,24:25:20:22.23|
Show InChI InChI=1S/C24H39N3O2/c1-23(2,3)25-22(29)14-27-19-4-5-20(27)10-15(9-19)11-21(28)26-24-12-16-6-17(13-24)8-18(24)7-16/h15-20H,4-14H2,1-3H3,(H,25,29)(H,26,28)/t15-,16?,17?,18?,19+,20-,24?
PDB

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n/an/a 49n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM363999
PNG
(US9856250, 69)
Show SMILES Cn1nc(cc1C(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(C)(C)C)C(C)(C)C |r,THB:18:17:16.10.11:13.14|
Show InChI InChI=1S/C23H39N5O2/c1-22(2,3)19-12-18(27(7)26-19)21(30)24-13-15-10-16-8-9-17(11-15)28(16)14-20(29)25-23(4,5)6/h12,15-17H,8-11,13-14H2,1-7H3,(H,24,30)(H,25,29)/t15-,16-,17+
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n/an/a 51n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM364001
PNG
(US9856250, 72)
Show SMILES COc1cc(C)cc(c1)C(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(C)(C)C |r,THB:21:20:19.13.14:16.17|
Show InChI InChI=1S/C23H35N3O3/c1-15-8-17(12-20(9-15)29-5)22(28)24-13-16-10-18-6-7-19(11-16)26(18)14-21(27)25-23(2,3)4/h8-9,12,16,18-19H,6-7,10-11,13-14H2,1-5H3,(H,24,28)(H,25,27)/t16-,18-,19+
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n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM364011
PNG
(US9856250, 96)
Show SMILES COc1cc(C)cc(c1)C(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NC1(CC1)C(F)(F)F |r,THB:21:20:19.13.14:16.17|
Show InChI InChI=1S/C23H30F3N3O3/c1-14-7-16(11-19(8-14)32-2)21(31)27-12-15-9-17-3-4-18(10-15)29(17)13-20(30)28-22(5-6-22)23(24,25)26/h7-8,11,15,17-18H,3-6,9-10,12-13H2,1-2H3,(H,27,31)(H,28,30)/t15-,17-,18+
PDB

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n/an/a 58n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM364042
PNG
(N-tert-Butyl-2- [(exo)-3-(4-methyl-1H-benzimidazol...)
Show SMILES Cc1cccc2[nH]c(C[C@H]3C[C@@H]4CC[C@H](C3)N4CC(=O)NC(C)(C)C)nc12 |r,THB:17:16:15.9.10:13.12|
PDB

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n/an/a 59n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM363995
PNG
(US9856250, 59)
Show SMILES CC(C)(C)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H](CNC(=O)c1ccc3OCCCc3c1)C2 |r,THB:7:8:13.14.29:10.11|
Show InChI InChI=1S/C24H35N3O3/c1-24(2,3)26-22(28)15-27-19-7-8-20(27)12-16(11-19)14-25-23(29)18-6-9-21-17(13-18)5-4-10-30-21/h6,9,13,16,19-20H,4-5,7-8,10-12,14-15H2,1-3H3,(H,25,29)(H,26,28)/t16-,19-,20+
PDB

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n/an/a 61n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM364027
PNG
(US9856250, 115)
Show SMILES CC1(CC1)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)C2 |r,THB:7:8:13.14.27:10.11|
Show InChI InChI=1S/C21H27ClFN3O2/c1-21(4-5-21)25-19(27)12-26-17-2-3-18(26)7-13(6-17)11-24-20(28)14-8-15(22)10-16(23)9-14/h8-10,13,17-18H,2-7,11-12H2,1H3,(H,24,28)(H,25,27)/t13-,17-,18+
PDB

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n/an/a 63n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM364000
PNG
(US9856250, 71)
Show SMILES CC(C)(C)CCC(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(C)(C)C |r,THB:18:17:16.10.11:13.14|
Show InChI InChI=1S/C21H39N3O2/c1-20(2,3)10-9-18(25)22-13-15-11-16-7-8-17(12-15)24(16)14-19(26)23-21(4,5)6/h15-17H,7-14H2,1-6H3,(H,22,25)(H,23,26)/t15-,16-,17+
PDB

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n/an/a 64n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM363983
PNG
(US9856250, 28)
Show SMILES CC(C)(C)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H](CNC(=O)C(C)(C)Oc1ccccc1)C2 |r,THB:7:8:13.14.29:10.11|
Show InChI InChI=1S/C24H37N3O3/c1-23(2,3)26-21(28)16-27-18-11-12-19(27)14-17(13-18)15-25-22(29)24(4,5)30-20-9-7-6-8-10-20/h6-10,17-19H,11-16H2,1-5H3,(H,25,29)(H,26,28)/t17-,18-,19+
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Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM364102
PNG
(N-(Adamantan-1-yl)-2-[(endo)-8-(tert-butylcarbamoy...)
Show SMILES CC(C)(C)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H](CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 |r,TLB:26:25:28:22.20.21,THB:7:8:13.14.29:11.10,24:25:28.23.22:20|
Show InChI InChI=1S/C25H41N3O2/c1-24(2,3)26-23(30)15-28-20-4-5-21(28)10-16(9-20)11-22(29)27-25-12-17-6-18(13-25)8-19(7-17)14-25/h16-21H,4-15H2,1-3H3,(H,26,30)(H,27,29)/t16-,17?,18?,19?,20+,21-,25?
PDB

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n/an/a 66n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM363988
PNG
(US9856250, 37)
Show SMILES CN1C2C=CC=CC2C(C(=O)NC[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)NC(C)(C)C)=C1C |r,c:3,5,31,THB:21:20:19.13.14:16.17|
Show InChI InChI=1S/C25H38N4O2/c1-16-23(20-8-6-7-9-21(20)28(16)5)24(31)26-14-17-12-18-10-11-19(13-17)29(18)15-22(30)27-25(2,3)4/h6-9,17-21H,10-15H2,1-5H3,(H,26,31)(H,27,30)/t17-,18-,19+,20?,21?
PDB

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n/an/a 67n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM363897
PNG
(2-[(exo)-8-(tert-Butylcarbamoyl)methyl-8-azabicycl...)
Show SMILES CC(C)(C)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H](CC(=O)Nc1cccc(Cl)c1)C2 |r,THB:7:8:13.14.26:10.11|
Show InChI InChI=1S/C21H30ClN3O2/c1-21(2,3)24-20(27)13-25-17-7-8-18(25)10-14(9-17)11-19(26)23-16-6-4-5-15(22)12-16/h4-6,12,14,17-18H,7-11,13H2,1-3H3,(H,23,26)(H,24,27)/t14-,17-,18+
PDB

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n/an/a 68n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair
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