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Compile Data Set for Download or QSAR

Found 10 hits from Bristol-Myers Squibb R& D   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcium channel (Type T,L)


()
BDBM50373617
PNG
(CHEMBL403689)
Show SMILES CN(CC(=O)Nc1cccc(c1)S(=O)(=O)N(Cc1ccccc1)c1cccc(Cl)c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C30H28ClN3O5S/c1-33(30(36)39-22-24-12-6-3-7-13-24)21-29(35)32-26-15-9-17-28(19-26)40(37,38)34(20-23-10-4-2-5-11-23)27-16-8-14-25(31)18-27/h2-19H,20-22H2,1H3,(H,32,35)
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM50373620
PNG
(CHEMBL269980)
Show SMILES CC(C)CCCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CN(C)C(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C29H34ClN3O5S/c1-22(2)10-9-17-33(26-15-7-13-24(30)18-26)39(36,37)27-16-8-14-25(19-27)31-28(34)20-32(3)29(35)38-21-23-11-5-4-6-12-23/h4-8,11-16,18-19,22H,9-10,17,20-21H2,1-3H3,(H,31,34)
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM50373614
PNG
(CHEMBL257288)
Show SMILES CC(C)OC(=O)C1C(N(CCCN(C)C(=O)c2ccc(Oc3ccccc3)cc2)C(=O)N=C1C)c1cccc(Cl)c1
Show InChI InChI=1S/C32H34ClN3O5/c1-21(2)40-31(38)28-22(3)34-32(39)36(29(28)24-10-8-11-25(33)20-24)19-9-18-35(4)30(37)23-14-16-27(17-15-23)41-26-12-6-5-7-13-26/h5-8,10-17,20-21,28-29H,9,18-19H2,1-4H3
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM50373616
PNG
(CHEMBL272128)
Show SMILES CC(C)OC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CN(C)C(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C28H30ClN3O7S/c1-20(2)39-27(34)18-32(24-13-7-11-22(29)15-24)40(36,37)25-14-8-12-23(16-25)30-26(33)17-31(3)28(35)38-19-21-9-5-4-6-10-21/h4-16,20H,17-19H2,1-3H3,(H,30,33)
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n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM50373614
PNG
(CHEMBL257288)
Show SMILES CC(C)OC(=O)C1C(N(CCCN(C)C(=O)c2ccc(Oc3ccccc3)cc2)C(=O)N=C1C)c1cccc(Cl)c1
Show InChI InChI=1S/C32H34ClN3O5/c1-21(2)40-31(38)28-22(3)34-32(39)36(29(28)24-10-8-11-25(33)20-24)19-9-18-35(4)30(37)23-14-16-27(17-15-23)41-26-12-6-5-7-13-26/h5-8,10-17,20-21,28-29H,9,18-19H2,1-4H3
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n/an/a 250n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM50373619
PNG
(CHEMBL272127)
Show SMILES CC(C)OC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CCNC(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C28H30ClN3O7S/c1-20(2)39-27(34)18-32(24-12-6-10-22(29)16-24)40(36,37)25-13-7-11-23(17-25)31-26(33)14-15-30-28(35)38-19-21-8-4-3-5-9-21/h3-13,16-17,20H,14-15,18-19H2,1-2H3,(H,30,35)(H,31,33)
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n/an/a 420n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM50373615
PNG
(CHEMBL402197)
Show SMILES CC(C)OC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CCc2ccccc2)c1
Show InChI InChI=1S/C26H27ClN2O5S/c1-19(2)34-26(31)18-29(23-12-6-10-21(27)16-23)35(32,33)24-13-7-11-22(17-24)28-25(30)15-14-20-8-4-3-5-9-20/h3-13,16-17,19H,14-15,18H2,1-2H3,(H,28,30)
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n/an/a 540n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM50373614
PNG
(CHEMBL257288)
Show SMILES CC(C)OC(=O)C1C(N(CCCN(C)C(=O)c2ccc(Oc3ccccc3)cc2)C(=O)N=C1C)c1cccc(Cl)c1
Show InChI InChI=1S/C32H34ClN3O5/c1-21(2)40-31(38)28-22(3)34-32(39)36(29(28)24-10-8-11-25(33)20-24)19-9-18-35(4)30(37)23-14-16-27(17-15-23)41-26-12-6-5-7-13-26/h5-8,10-17,20-21,28-29H,9,18-19H2,1-4H3
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n/an/a 650n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM50373618
PNG
(CHEMBL404329)
Show SMILES CC(C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CN(C)C(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C28H31ClN4O6S/c1-20(2)30-27(35)18-33(24-13-7-11-22(29)15-24)40(37,38)25-14-8-12-23(16-25)31-26(34)17-32(3)28(36)39-19-21-9-5-4-6-10-21/h4-16,20H,17-19H2,1-3H3,(H,30,35)(H,31,34)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair