Found 186 hits with Last Name = 'menard' and Initial = 'k' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Insulin-like growth factor 1 receptor
(Rattus norvegicus) | BDBM50318112
((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...)Show SMILES COCCN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r| Show InChI InChI=1S/C28H33ClN6O3/c1-18-14-21(35-10-8-34(9-11-35)12-13-38-2)16-23-26(18)33-27(32-23)25-22(6-7-30-28(25)37)31-17-24(36)19-4-3-5-20(29)15-19/h3-7,14-16,24,36H,8-13,17H2,1-2H3,(H,32,33)(H2,30,31,37)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
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| CHEMBL
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UniChem
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| Article
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of rat IGF1R |
Bioorg Med Chem Lett 20: 3182-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.057
BindingDB Entry DOI: 10.7270/Q2GX4BQB |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM297163
(2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566615
(CHEMBL4846895)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1c(F)c(ccc21)C(C)(C)O |r| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297236
(2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-8-methoxy-5-...)Show SMILES COc1cc2c(cc1C(C)(C)O)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r| Show InChI InChI=1S/C31H35N5O3/c1-19-29(35(4)34-33-19)22-15-26-28(32-18-22)23-16-27(38-5)24(31(2,3)37)17-25(23)36(26)30(20-9-7-6-8-10-20)21-11-13-39-14-12-21/h6-10,15-18,21,30,37H,11-14H2,1-5H3/t30-/m1/s1 | PDB
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| Article
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297163
(2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | PDB
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| Article
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297163
(2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566615
(CHEMBL4846895)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1c(F)c(ccc21)C(C)(C)O |r| | PDB
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| PC cid
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| Article
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566614
(CHEMBL4848871)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1cc(ccc21)C(C)(C)O |r| | PDB
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| PC cid
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| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297070
(5-{7-Methanesulfonyl-5-[(S)-oxan-4-yl(phenyl)methy...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)S(C)(=O)=O |r| Show InChI InChI=1S/C28H29N5O3S/c1-18-27(32(2)31-30-18)21-15-25-26(29-17-21)23-10-9-22(37(3,34)35)16-24(23)33(25)28(19-7-5-4-6-8-19)20-11-13-36-14-12-20/h4-10,15-17,20,28H,11-14H2,1-3H3/t28-/m1/s1 | PDB
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| Article
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566614
(CHEMBL4848871)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1cc(ccc21)C(C)(C)O |r| | PDB
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| PC cid
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50586606
(CHEMBL5080354)Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| | PDB
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| PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297144
(2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-9-methoxy-5-...)Show SMILES COc1cc(cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c12)-c1c(C)nnn1C)C(C)(C)O |r| Show InChI InChI=1S/C31H35N5O3/c1-19-29(35(4)34-33-19)22-15-25-28(32-18-22)27-24(16-23(31(2,3)37)17-26(27)38-5)36(25)30(20-9-7-6-8-10-20)21-11-13-39-14-12-21/h6-10,15-18,21,30,37H,11-14H2,1-5H3/t30-/m1/s1 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297162
(2-{6-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(F)c(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-27(35(4)34-33-18)21-16-24-26(32-17-21)22-10-11-23(30(2,3)37)25(31)29(22)36(24)28(19-8-6-5-7-9-19)20-12-14-38-15-13-20/h5-11,16-17,20,28,37H,12-15H2,1-4H3/t28-/m1/s1 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Neurogenic locus notch homolog protein 3
(Homo sapiens (Human)) | BDBM50074693
(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=1S/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-/m1/s1 | PDB
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UniChem
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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 3
(Homo sapiens (Human)) | BDBM50074771
(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=1S/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-/m1/s1 | PDB
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50074796
(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=1S/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-/m1/s1 | PDB
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Similars
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurogenic locus notch homolog protein 1
(Homo sapiens (Human)) | BDBM50074818
(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=1S/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-/m1/s1 | PDB
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| CHEMBL
PC cid
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UniChem
Similars
| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurogenic locus notch homolog protein 1
(Homo sapiens (Human)) | BDBM50074771
(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=1S/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-/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurogenic locus notch homolog protein 3
(Homo sapiens (Human)) | BDBM50074799
(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=1S/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-/m1/s1 | PDB
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UniChem
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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 3
(Homo sapiens (Human)) | BDBM50074796
(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=1S/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-/m1/s1 | PDB
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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 | |
Neurogenic locus notch homolog protein 2
(Homo sapiens (Human)) | BDBM50074694
(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=1S/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-/m1/s1 | PDB
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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 | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566613
(CHEMBL4864173)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccc(Cl)cn1)c1cc(ccc21)C(C)(C)O |r| | PDB
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TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297146
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | PDB
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TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297268
(2-{6-Chloro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(Cl)c(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32ClN5O2/c1-18-27(35(4)34-33-18)21-16-24-26(32-17-21)22-10-11-23(30(2,3)37)25(31)29(22)36(24)28(19-8-6-5-7-9-19)20-12-14-38-15-13-20/h5-11,16-17,20,28,37H,12-15H2,1-4H3/t28-/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297146
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM297146
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | PDB
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TBA
| Assay Description
Inhibition of human BRD3 measured by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566613
(CHEMBL4864173)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccc(Cl)cn1)c1cc(ccc21)C(C)(C)O |r| | PDB
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TBA
| Assay Description
Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566610
(CHEMBL4857742)Show SMILES Cc1cc(no1)[C@H](C1CCOCC1)n1c2cc(ccc2c2ncc(cc12)-c1c(C)nnn1C)C(C)(C)O |r| | PDB
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TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297146
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM297146
(2-{3-[4-(2H3)Methyl-1-methyl-1H-1,2,3-triazol-5-yl...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | PDB
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TBA
| Assay Description
Inhibition of human BRD2 measured by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566612
(CHEMBL4869203)Show SMILES [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1cc(C)on1)c1cc(c(F)cc21)C(C)(C)O |r| | PDB
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TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50594425
(CHEMBL5189057)Show SMILES COC(C)(C)c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50586604
(CHEMBL5093440)Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)n(C(c1ccccc1)c1ccccc1)c1cc(ccc21)C(C)(C)O | PDB
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TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM297163
(2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50566610
(CHEMBL4857742)Show SMILES Cc1cc(no1)[C@H](C1CCOCC1)n1c2cc(ccc2c2ncc(cc12)-c1c(C)nnn1C)C(C)(C)O |r| | PDB
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TBA
| Assay Description
Inhibition of BRD4 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM296886
(2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(pheny...)Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-16-27-29(32-18-23)25-11-10-24(31(3,4)35)17-26(25)34(27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m1/s1 | PDB
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TBA
| Assay Description
Inhibition of human BRD2 measured by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297070
(5-{7-Methanesulfonyl-5-[(S)-oxan-4-yl(phenyl)methy...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)S(C)(=O)=O |r| Show InChI InChI=1S/C28H29N5O3S/c1-18-27(32(2)31-30-18)21-15-25-26(29-17-21)23-10-9-22(37(3,34)35)16-24(23)33(25)28(19-7-5-4-6-8-19)20-11-13-36-14-12-20/h4-10,15-17,20,28H,11-14H2,1-3H3/t28-/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00219
BindingDB Entry DOI: 10.7270/Q20R9TDX |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50586607
(CHEMBL5082474)Show SMILES Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)n([C@@H](C1CCOCC1)c1ccc(F)cc1)c1cc(ccc21)C(C)(C)O |r| | PDB
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TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM296886
(2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(pheny...)Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-16-27-29(32-18-23)25-11-10-24(31(3,4)35)17-26(25)34(27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m1/s1 | PDB
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TBA
| Assay Description
Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM296886
(2-[3-(Dimethyl-1,2-oxazol-4-yl)-5-[oxan-4-yl(pheny...)Show SMILES Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r| Show InChI InChI=1S/C31H33N3O3/c1-19-28(20(2)37-33-19)23-16-27-29(32-18-23)25-11-10-24(31(3,4)35)17-26(25)34(27)30(21-8-6-5-7-9-21)22-12-14-36-15-13-22/h5-11,16-18,22,30,35H,12-15H2,1-4H3/t30-/m1/s1 | PDB
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UniChem
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TBA
| Assay Description
Inhibition of human BRD3 measured by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00625
BindingDB Entry DOI: 10.7270/Q2HT2T7C |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM297163
(2-{8-Fluoro-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-tri...)Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(c(F)cc21)C(C)(C)O |r| Show InChI InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | PDB
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UniChem
| Article
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128108
BindingDB Entry DOI: 10.7270/Q26977BM |
More data for this
Ligand-Target Pair | |
Neurogenic locus notch homolog protein 1
(Homo sapiens (Human)) | BDBM50074795
(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=1S/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-/m1/s1 | PDB
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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 1
(Homo sapiens (Human)) | BDBM50074798
(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=1S/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-/m1/s1 | PDB
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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 1
(Homo sapiens (Human)) | BDBM50074799
(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=1S/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-/m1/s1 | PDB
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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 1
(Homo sapiens (Human)) | BDBM50074784
(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=1S/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-/m1/s1 | PDB
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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 3
(Homo sapiens (Human)) | BDBM50074818
(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=1S/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-/m1/s1 | PDB
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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 | |
Neurogenic locus notch homolog protein 3
(Homo sapiens (Human)) | BDBM50074798
(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=1S/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-/m1/s1 | PDB
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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 | |
Neurogenic locus notch homolog protein 3
(Homo sapiens (Human)) | BDBM50074795
(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=1S/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-/m1/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50299143
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)Show SMILES O=C(Nc1nccs1)[C@@H]1CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1 |r| Show InChI InChI=1S/C20H21N9OS/c30-18(24-20-21-7-10-31-20)15-4-1-8-28(15)19-23-17(14-3-2-9-29(14)27-19)22-16-11-13(25-26-16)12-5-6-12/h2-3,7,9-12,15H,1,4-6,8H2,(H,21,24,30)(H2,22,23,25,26,27)/t15-/m0/s1 | PDB
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Bristol-Myers Squibb Co
Curated by ChEMBL
| Assay Description
Inhibition of IGF1R after 60 mins by fluorescence electrophoresis |
J Med Chem 52: 7360-3 (2009)
Article DOI: 10.1021/jm900786r
BindingDB Entry DOI: 10.7270/Q2P27022 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50299148
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)Show SMILES C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r| Show InChI InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1 | PDB
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Bristol-Myers Squibb Co
Curated by ChEMBL
| Assay Description
Inhibition of IGF1R after 60 mins by fluorescence electrophoresis |
J Med Chem 52: 7360-3 (2009)
Article DOI: 10.1021/jm900786r
BindingDB Entry DOI: 10.7270/Q2P27022 |
More data for this
Ligand-Target Pair | |
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