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Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'ranasinghe' and Initial = 'a'   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011322
PNG
(CHEMBL3260745)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C28H20ClF3N6O2/c1-3-36-27(40)38-25(35-36)23(18-8-11-21(29)12-9-18)24(19-6-4-17(14-33)5-7-19)26(39)37(38)15-20-10-13-22(28(30,31)32)34-16(20)2/h4-13H,3,15H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011324
PNG
(CHEMBL3260747)
Show SMILES CCc1nc(ccc1Cn1n2c(nn(CC)c2=O)c(-c2ccc(Cl)cc2)c(-c2ccc(cc2)C#N)c1=O)C(F)(F)F
Show InChI InChI=1S/C29H22ClF3N6O2/c1-3-22-20(11-14-23(35-22)29(31,32)33)16-38-27(40)25(19-7-5-17(15-34)6-8-19)24(18-9-12-21(30)13-10-18)26-36-37(4-2)28(41)39(26)38/h5-14H,3-4,16H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011328
PNG
(CHEMBL3259829)
Show SMILES CCCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C29H22ClF3N6O2/c1-3-14-37-28(41)39-26(36-37)24(19-8-11-22(30)12-9-19)25(20-6-4-18(15-34)5-7-20)27(40)38(39)16-21-10-13-23(29(31,32)33)35-17(21)2/h4-13H,3,14,16H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011326
PNG
(CHEMBL3260748)
Show SMILES CC(C)n1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C29H22ClF3N6O2/c1-16(2)38-28(41)39-26(36-38)24(19-8-11-22(30)12-9-19)25(20-6-4-18(14-34)5-7-20)27(40)37(39)15-21-10-13-23(29(31,32)33)35-17(21)3/h4-13,16H,15H2,1-3H3
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1.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011330
PNG
(CHEMBL3260750)
Show SMILES CCn1nc2c(-c3ccc(C)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C29H23F3N6O2/c1-4-36-28(40)38-26(35-36)24(20-9-5-17(2)6-10-20)25(21-11-7-19(15-33)8-12-21)27(39)37(38)16-22-13-14-23(29(30,31)32)34-18(22)3/h5-14H,4,16H2,1-3H3
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2.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011323
PNG
(CHEMBL3260746)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(C#N)c(C)c3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C29H22ClF3N6O2/c1-4-37-28(41)39-26(36-37)24(18-7-10-22(30)11-8-18)25(19-5-6-20(14-34)16(2)13-19)27(40)38(39)15-21-9-12-23(29(31,32)33)35-17(21)3/h5-13H,4,15H2,1-3H3
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011334
PNG
(CHEMBL3260754)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3F)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O |(14.54,-16.67,;15.31,-15.33,;14.53,-14,;13,-13.84,;12.68,-12.33,;11.35,-11.56,;10.01,-12.34,;10.02,-13.88,;8.68,-14.65,;7.35,-13.89,;6.01,-14.66,;7.35,-12.34,;8.68,-11.57,;11.34,-10.03,;10.01,-9.26,;8.68,-10.03,;7.35,-9.26,;7.34,-7.72,;8.67,-6.95,;10.01,-7.72,;11.34,-6.95,;12.68,-9.26,;12.67,-7.72,;14.01,-10.02,;15.35,-9.25,;15.34,-7.71,;14,-6.95,;13.98,-5.41,;15.32,-4.62,;16.67,-5.39,;16.67,-6.93,;18.01,-7.69,;15.31,-3.08,;16.64,-2.3,;13.97,-2.32,;15.3,-1.53,;14.01,-11.57,;15.16,-12.6,;16.66,-12.27,)|
Show InChI InChI=1S/C26H19ClF4N6O2/c1-3-35-25(39)37-23(34-35)21(15-4-7-17(27)8-5-15)22(18-10-11-32-12-19(18)28)24(38)36(37)13-16-6-9-20(26(29,30)31)33-14(16)2/h4-12H,3,13H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011310
PNG
(CHEMBL3260737)
Show SMILES Clc1ccc(cc1)-c1c(-c2ccncc2)c2nn(Cc3ccc(cc3)C#N)c(=O)n2n(Cc2ccc(cc2)C#N)c1=O
Show InChI InChI=1S/C32H20ClN7O2/c33-27-11-9-25(10-12-27)29-28(26-13-15-36-16-14-26)30-37-38(19-23-5-1-21(17-34)2-6-23)32(42)40(30)39(31(29)41)20-24-7-3-22(18-35)4-8-24/h1-16H,19-20H2
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4.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011316
PNG
(CHEMBL3260743)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C26H20ClF3N6O2/c1-3-34-25(38)36-23(33-34)21(16-4-7-19(27)8-5-16)22(17-10-12-31-13-11-17)24(37)35(36)14-18-6-9-20(26(28,29)30)32-15(18)2/h4-13H,3,14H2,1-2H3
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4.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011333
PNG
(CHEMBL3260753)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnc(C)nc3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C26H21ClF3N7O2/c1-4-35-25(39)37-23(34-35)21(16-5-8-19(27)9-6-16)22(18-11-31-15(3)32-12-18)24(38)36(37)13-17-7-10-20(26(28,29)30)33-14(17)2/h5-12H,4,13H2,1-3H3
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4.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011332
PNG
(CHEMBL3260752)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(CO)nc3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C27H22ClF3N6O3/c1-3-35-26(40)37-24(34-35)22(16-4-8-19(28)9-5-16)23(17-6-10-20(14-38)32-12-17)25(39)36(37)13-18-7-11-21(27(29,30)31)33-15(18)2/h4-12,38H,3,13-14H2,1-2H3
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011331
PNG
(CHEMBL3260751)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O
Show InChI InChI=1S/C28H19ClN6O2/c1-2-33-28(37)35-26(32-33)24(21-11-13-23(29)14-12-21)25(22-9-7-19(16-31)8-10-22)27(36)34(35)17-20-5-3-18(15-30)4-6-20/h3-14H,2,17H2,1H3
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011317
PNG
(CHEMBL3260744)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3C)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O |(16.96,-15.83,;17.73,-14.5,;16.96,-13.17,;15.43,-13.01,;15.11,-11.5,;13.78,-10.73,;12.44,-11.51,;12.44,-13.05,;11.11,-13.82,;9.77,-13.05,;8.44,-13.82,;9.77,-11.51,;11.11,-10.74,;13.77,-9.2,;12.44,-8.43,;11.11,-9.2,;9.77,-8.43,;9.77,-6.89,;11.1,-6.12,;12.44,-6.89,;13.78,-5.75,;15.1,-8.42,;15.1,-6.89,;16.44,-9.19,;17.77,-8.42,;17.76,-6.87,;16.42,-6.12,;16.41,-4.58,;17.75,-3.79,;19.09,-4.55,;19.1,-6.1,;20.44,-6.86,;17.74,-2.25,;19.06,-1.47,;16.4,-1.49,;17.72,-.7,;16.44,-10.73,;17.58,-11.76,;19.09,-11.44,)|
Show InChI InChI=1S/C27H22ClF3N6O2/c1-4-35-26(39)37-24(34-35)22(17-5-8-19(28)9-6-17)23(20-11-12-32-13-15(20)2)25(38)36(37)14-18-7-10-21(27(29,30)31)33-16(18)3/h5-13H,4,14H2,1-3H3
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8.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011314
PNG
(CHEMBL3260741)
Show SMILES Cc1nc(ccc1Cn1n2c(nn(C)c2=O)c(-c2ccc(Cl)cc2)c(-c2ccncc2)c1=O)C(F)(F)F
Show InChI InChI=1S/C25H18ClF3N6O2/c1-14-17(5-8-19(31-14)25(27,28)29)13-34-23(36)21(16-9-11-30-12-10-16)20(15-3-6-18(26)7-4-15)22-32-33(2)24(37)35(22)34/h3-12H,13H2,1-2H3
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011307
PNG
(CHEMBL3260734)
Show SMILES COc1nn2c(nn(Cc3ccc(nc3)C(F)(F)F)c2=O)c(-c2ccncc2)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H16ClF3N6O2/c1-36-22-20(15-3-5-17(25)6-4-15)19(16-8-10-29-11-9-16)21-31-33(23(35)34(21)32-22)13-14-2-7-18(30-12-14)24(26,27)28/h2-12H,13H2,1H3
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011329
PNG
(CHEMBL3260749)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(C)cc3)n2c1=O
Show InChI InChI=1S/C28H22ClN5O2/c1-3-32-28(36)34-26(31-32)24(21-12-14-23(29)15-13-21)25(22-10-8-19(16-30)9-11-22)27(35)33(34)17-20-6-4-18(2)5-7-20/h4-15H,3,17H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356013
PNG
(CHEMBL1911374 | CHEMBL1911375)
Show SMILES FC(F)(F)c1ccc(Cn2nc3c(-c4ccncc4)c(cnn3c2=O)-c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C23H14ClF3N6O/c24-17-4-2-15(3-5-17)18-12-30-33-21(20(18)16-7-9-28-10-8-16)31-32(22(33)34)13-14-1-6-19(29-11-14)23(25,26)27/h1-12H,13H2
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011315
PNG
(CHEMBL3260742)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(nc3)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C25H18ClF3N6O2/c1-2-33-24(37)35-22(32-33)20(16-4-6-18(26)7-5-16)21(17-9-11-30-12-10-17)23(36)34(35)14-15-3-8-19(31-13-15)25(27,28)29/h3-13H,2,14H2,1H3
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15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011309
PNG
(CHEMBL3260736)
Show SMILES Cn1n2c(nn(Cc3ccc(nc3)C(F)(F)F)c2=O)c(-c2ccncc2)c(-c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C24H16ClF3N6O2/c1-32-22(35)20(15-3-5-17(25)6-4-15)19(16-8-10-29-11-9-16)21-31-33(23(36)34(21)32)13-14-2-7-18(30-12-14)24(26,27)28/h2-12H,13H2,1H3
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18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011313
PNG
(CHEMBL3260740)
Show SMILES Cn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(nc3)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C24H16ClF3N6O2/c1-32-23(36)34-21(31-32)19(15-3-5-17(25)6-4-15)20(16-8-10-29-11-9-16)22(35)33(34)13-14-2-7-18(30-12-14)24(26,27)28/h2-12H,13H2,1H3
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011312
PNG
(CHEMBL3260739)
Show SMILES Cn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O
Show InChI InChI=1S/C25H17ClN6O2/c1-30-25(34)32-23(29-30)21(18-6-8-20(26)9-7-18)22(19-10-12-28-13-11-19)24(33)31(32)15-17-4-2-16(14-27)3-5-17/h2-13H,15H2,1H3
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29n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011336
PNG
(CHEMBL3260756)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnc(nc3)N(C)C)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O
Show InChI InChI=1S/C27H23ClN8O2/c1-4-34-27(38)36-24(32-34)22(19-9-11-21(28)12-10-19)23(20-14-30-26(31-15-20)33(2)3)25(37)35(36)16-18-7-5-17(13-29)6-8-18/h5-12,14-15H,4,16H2,1-3H3
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77n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011335
PNG
(CHEMBL3260755)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnn(C)c3)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O
Show InChI InChI=1S/C25H20ClN7O2/c1-3-31-25(35)33-23(29-31)21(18-8-10-20(26)11-9-18)22(19-13-28-30(2)15-19)24(34)32(33)14-17-6-4-16(12-27)5-7-17/h4-11,13,15H,3,14H2,1-2H3
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92n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011306
PNG
(CHEMBL3260733)
Show SMILES Cc1nn2c(nn(Cc3ccc(nc3)C(F)(F)F)c2=O)c(-c2ccncc2)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H16ClF3N6O/c1-14-20(16-3-5-18(25)6-4-16)21(17-8-10-29-11-9-17)22-32-33(23(35)34(22)31-14)13-15-2-7-19(30-12-15)24(26,27)28/h2-12H,13H2,1H3
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210n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011311
PNG
(CHEMBL3260738)
Show SMILES Cn1nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O
Show InChI InChI=1S/C25H17ClN6O2/c1-30-25(34)32-23(29-30)21(19-10-12-28-13-11-19)22(18-6-8-20(26)9-7-18)24(33)31(32)15-17-4-2-16(14-27)3-5-17/h2-13H,15H2,1H3
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214n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011308
PNG
(CHEMBL3260735)
Show SMILES FC(F)(F)c1ccc(Cn2nc3c(-c4ccncc4)c(-c4ccc(Cl)cc4)c(=O)[nH]n3c2=O)cn1
Show InChI InChI=1S/C23H14ClF3N6O2/c24-16-4-2-14(3-5-16)19-18(15-7-9-28-10-8-15)20-30-32(22(35)33(20)31-21(19)34)12-13-1-6-17(29-11-13)23(25,26)27/h1-11H,12H2,(H,31,34)
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4.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Notch 3 intracellular domain (Notch 3)


(Homo sapiens (Human))
BDBM50074771
PNG
(CHEMBL3410153)
Show SMILES CCC(CC)[C@@H]([C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:17|
Show InChI InChI=1/C28H33F3N4O3/c1-4-17(5-2)22(24(32)36)20(15-16-28(29,30)31)26(37)34-25-27(38)35(3)21-14-10-9-13-19(21)23(33-25)18-11-7-6-8-12-18/h6-14,17,20,22,25H,4-5,15-16H2,1-3H3,(H2,32,36)(H,34,37)/t20-,22+,25-/s2
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 3 intracellular domain (Notch 3)


(Homo sapiens (Human))
BDBM50074693
PNG
(CHEMBL3410162)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cccc(C)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C30H29F3N4O3/c1-18-9-8-12-20(17-18)24(26(34)38)22(15-16-30(31,32)33)28(39)36-27-29(40)37(2)23-14-7-6-13-21(23)25(35-27)19-10-4-3-5-11-19/h3-14,17,22,24,27H,15-16H2,1-2H3,(H2,34,38)(H,36,39)/t22-,24+,27-/s2
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 2


(Homo sapiens (Human))
BDBM50074694
PNG
(CHEMBL3410161)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccccc2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C29H27F3N4O3/c1-36-22-15-9-8-14-20(22)24(19-12-6-3-7-13-19)34-26(28(36)39)35-27(38)21(16-17-29(30,31)32)23(25(33)37)18-10-4-2-5-11-18/h2-15,21,23,26H,16-17H2,1H3,(H2,33,37)(H,35,38)/t21-,23+,26-/s2
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch2 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 3 intracellular domain (Notch 3)


(Homo sapiens (Human))
BDBM50074796
PNG
(CHEMBL3410169)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2F)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C29H25F5N4O3/c1-38-22-10-6-5-9-19(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)20(13-14-29(32,33)34)23(25(35)39)18-12-11-17(30)15-21(18)31/h2-12,15,20,23,26H,13-14H2,1H3,(H2,35,39)(H,37,40)/t20-,23+,26-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 3 intracellular domain (Notch 3)


(Homo sapiens (Human))
BDBM50074799
PNG
(CHEMBL3410167)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C29H26F4N4O3/c1-37-22-10-6-5-9-20(22)24(18-7-3-2-4-8-18)35-26(28(37)40)36-27(39)21(15-16-29(31,32)33)23(25(34)38)17-11-13-19(30)14-12-17/h2-14,21,23,26H,15-16H2,1H3,(H2,34,38)(H,36,39)/t21-,23+,26-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 1 intracellular domain (Notch 1)


(Homo sapiens (Human))
BDBM50074771
PNG
(CHEMBL3410153)
Show SMILES CCC(CC)[C@@H]([C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:17|
Show InChI InChI=1/C28H33F3N4O3/c1-4-17(5-2)22(24(32)36)20(15-16-28(29,30)31)26(37)34-25-27(38)35(3)21-14-10-9-13-19(21)23(33-25)18-11-7-6-8-12-18/h6-14,17,20,22,25H,4-5,15-16H2,1-3H3,(H2,32,36)(H,34,37)/t20-,22+,25-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 1 intracellular domain (Notch 1)


(Homo sapiens (Human))
BDBM50074818
PNG
(CHEMBL3410163)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cccc(c2)C(F)(F)F)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C30H26F6N4O3/c1-40-22-13-6-5-12-20(22)24(17-8-3-2-4-9-17)38-26(28(40)43)39-27(42)21(14-15-29(31,32)33)23(25(37)41)18-10-7-11-19(16-18)30(34,35)36/h2-13,16,21,23,26H,14-15H2,1H3,(H2,37,41)(H,39,42)/t21-,23+,26-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 1 intracellular domain (Notch 1)


(Homo sapiens (Human))
BDBM50074796
PNG
(CHEMBL3410169)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2F)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C29H25F5N4O3/c1-38-22-10-6-5-9-19(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)20(13-14-29(32,33)34)23(25(35)39)18-12-11-17(30)15-21(18)31/h2-12,15,20,23,26H,13-14H2,1H3,(H2,35,39)(H,37,40)/t20-,23+,26-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 1 intracellular domain (Notch 1)


(Homo sapiens (Human))
BDBM50074784
PNG
(CHEMBL3410151)
Show SMILES CCC(CC)[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:15|
Show InChI InChI=1/C29H38N4O3/c1-6-19(7-2)24(26(30)34)22(17-18(3)4)28(35)32-27-29(36)33(5)23-16-12-11-15-21(23)25(31-27)20-13-9-8-10-14-20/h8-16,18-19,22,24,27H,6-7,17H2,1-5H3,(H2,30,34)(H,32,35)/t22-,24+,27-/s2
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 3 intracellular domain (Notch 3)


(Homo sapiens (Human))
BDBM50074798
PNG
(CHEMBL3410168)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)c(F)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C29H25F5N4O3/c1-38-22-10-6-5-9-18(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)19(13-14-29(32,33)34)23(25(35)39)17-11-12-20(30)21(31)15-17/h2-12,15,19,23,26H,13-14H2,1H3,(H2,35,39)(H,37,40)/t19-,23+,26-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 3 intracellular domain (Notch 3)


(Homo sapiens (Human))
BDBM50074795
PNG
(CHEMBL3410170)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cc(F)cc(F)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C29H25F5N4O3/c1-38-22-10-6-5-9-20(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)21(11-12-29(32,33)34)23(25(35)39)17-13-18(30)15-19(31)14-17/h2-10,13-15,21,23,26H,11-12H2,1H3,(H2,35,39)(H,37,40)/t21-,23+,26-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 1 intracellular domain (Notch 1)


(Homo sapiens (Human))
BDBM50074799
PNG
(CHEMBL3410167)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C29H26F4N4O3/c1-37-22-10-6-5-9-20(22)24(18-7-3-2-4-8-18)35-26(28(37)40)36-27(39)21(15-16-29(31,32)33)23(25(34)38)17-11-13-19(30)14-12-17/h2-14,21,23,26H,15-16H2,1H3,(H2,34,38)(H,36,39)/t21-,23+,26-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 1 intracellular domain (Notch 1)


(Homo sapiens (Human))
BDBM50074798
PNG
(CHEMBL3410168)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)c(F)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C29H25F5N4O3/c1-38-22-10-6-5-9-18(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)19(13-14-29(32,33)34)23(25(35)39)17-11-12-20(30)21(31)15-17/h2-12,15,19,23,26H,13-14H2,1H3,(H2,35,39)(H,37,40)/t19-,23+,26-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 3 intracellular domain (Notch 3)


(Homo sapiens (Human))
BDBM50074818
PNG
(CHEMBL3410163)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cccc(c2)C(F)(F)F)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C30H26F6N4O3/c1-40-22-13-6-5-12-20(22)24(17-8-3-2-4-9-17)38-26(28(40)43)39-27(42)21(14-15-29(31,32)33)23(25(37)41)18-10-7-11-19(16-18)30(34,35)36/h2-13,16,21,23,26H,14-15H2,1H3,(H2,37,41)(H,39,42)/t21-,23+,26-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 1 intracellular domain (Notch 1)


(Homo sapiens (Human))
BDBM50074795
PNG
(CHEMBL3410170)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cc(F)cc(F)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C29H25F5N4O3/c1-38-22-10-6-5-9-20(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)21(11-12-29(32,33)34)23(25(35)39)17-13-18(30)15-19(31)14-17/h2-10,13-15,21,23,26H,11-12H2,1H3,(H2,35,39)(H,37,40)/t21-,23+,26-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 3 intracellular domain (Notch 3)


(Homo sapiens (Human))
BDBM50074695
PNG
(CHEMBL3410160)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2conc2C)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C27H26F3N5O4/c1-15-19(14-39-34-15)21(23(31)36)18(12-13-27(28,29)30)25(37)33-24-26(38)35(2)20-11-7-6-10-17(20)22(32-24)16-8-4-3-5-9-16/h3-11,14,18,21,24H,12-13H2,1-2H3,(H2,31,36)(H,33,37)/t18-,21-,24-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 3 intracellular domain (Notch 3)


(Homo sapiens (Human))
BDBM50074777
PNG
(CHEMBL3410152)
Show SMILES CCC(CC)[C@@H]([C@@H](CC(C)(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:16|
Show InChI InChI=1/C30H40N4O3/c1-7-19(8-2)24(26(31)35)22(18-30(3,4)5)28(36)33-27-29(37)34(6)23-17-13-12-16-21(23)25(32-27)20-14-10-9-11-15-20/h9-17,19,22,24,27H,7-8,18H2,1-6H3,(H2,31,35)(H,33,36)/t22-,24+,27-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 3 intracellular domain (Notch 3)


(Homo sapiens (Human))
BDBM50074784
PNG
(CHEMBL3410151)
Show SMILES CCC(CC)[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:15|
Show InChI InChI=1/C29H38N4O3/c1-6-19(7-2)24(26(30)34)22(17-18(3)4)28(35)32-27-29(36)33(5)23-16-12-11-15-21(23)25(31-27)20-13-9-8-10-14-20/h8-16,18-19,22,24,27H,6-7,17H2,1-5H3,(H2,30,34)(H,32,35)/t22-,24+,27-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 1 intracellular domain (Notch 1)


(Homo sapiens (Human))
BDBM50074813
PNG
(CHEMBL3410164)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cccc(OC(F)(F)F)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C30H26F6N4O4/c1-40-22-13-6-5-12-20(22)24(17-8-3-2-4-9-17)38-26(28(40)43)39-27(42)21(14-15-29(31,32)33)23(25(37)41)18-10-7-11-19(16-18)44-30(34,35)36/h2-13,16,21,23,26H,14-15H2,1H3,(H2,37,41)(H,39,42)/t21-,23+,26-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 1 intracellular domain (Notch 1)


(Homo sapiens (Human))
BDBM50074693
PNG
(CHEMBL3410162)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cccc(C)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C30H29F3N4O3/c1-18-9-8-12-20(17-18)24(26(34)38)22(15-16-30(31,32)33)28(39)36-27-29(40)37(2)23-14-7-6-13-21(23)25(35-27)19-10-4-3-5-11-19/h3-14,17,22,24,27H,15-16H2,1-2H3,(H2,34,38)(H,36,39)/t22-,24+,27-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 1 intracellular domain (Notch 1)


(Homo sapiens (Human))
BDBM50074695
PNG
(CHEMBL3410160)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2conc2C)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C27H26F3N5O4/c1-15-19(14-39-34-15)21(23(31)36)18(12-13-27(28,29)30)25(37)33-24-26(38)35(2)20-11-7-6-10-17(20)22(32-24)16-8-4-3-5-9-16/h3-11,14,18,21,24H,12-13H2,1-2H3,(H2,31,36)(H,33,37)/t18-,21-,24-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 1 intracellular domain (Notch 1)


(Homo sapiens (Human))
BDBM50074777
PNG
(CHEMBL3410152)
Show SMILES CCC(CC)[C@@H]([C@@H](CC(C)(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:16|
Show InChI InChI=1/C30H40N4O3/c1-7-19(8-2)24(26(31)35)22(18-30(3,4)5)28(36)33-27-29(37)34(6)23-17-13-12-16-21(23)25(32-27)20-14-10-9-11-15-20/h9-17,19,22,24,27H,7-8,18H2,1-6H3,(H2,31,35)(H,33,36)/t22-,24+,27-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 4


(Homo sapiens (Human))
BDBM50074694
PNG
(CHEMBL3410161)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccccc2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C29H27F3N4O3/c1-36-22-15-9-8-14-20(22)24(19-12-6-3-7-13-19)34-26(28(36)39)35-27(38)21(16-17-29(30,31)32)23(25(33)37)18-10-4-2-5-11-18/h2-15,21,23,26H,16-17H2,1H3,(H2,33,37)(H,35,38)/t21-,23+,26-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch4 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Notch 3 intracellular domain (Notch 3)


(Homo sapiens (Human))
BDBM50074694
PNG
(CHEMBL3410161)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccccc2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1/C29H27F3N4O3/c1-36-22-15-9-8-14-20(22)24(19-12-6-3-7-13-19)34-26(28(36)39)35-27(38)21(16-17-29(30,31)32)23(25(33)37)18-10-4-2-5-11-18/h2-15,21,23,26H,16-17H2,1H3,(H2,33,37)(H,35,38)/t21-,23+,26-/s2
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...


Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
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