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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50017933   
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
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606282
PNG
(CHEMBL5204505 | US20230287003, Example 12p)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)[C@@H](CO)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r|
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n/an/a 1.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606290
PNG
(CHEMBL5205388 | US20230287003, Example 13d)
Show SMILES C[C@H]1C[C@@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
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n/an/a 2.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606295
PNG
(CHEMBL5171519)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC[C@H](O)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606287
PNG
(CHEMBL5194697)
Show SMILES C[C@@H]1C[C@@H](CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1)NC(C)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606291
PNG
(CHEMBL5196650 | US20230287003, Example 13e)
Show SMILES C[C@@H]1C[C@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606294
PNG
(CHEMBL5181921)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC[C@@H](O)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606288
PNG
(CHEMBL5193571)
Show SMILES C[C@H]1C[C@H](CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1)N(C)C |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606284
PNG
(CHEMBL5208698)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)[C@@H](O)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606280
PNG
(CHEMBL5205212)
Show SMILES C[C@H]1C[C@H](CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1)NC(C)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606289
PNG
(CHEMBL5205838)
Show SMILES C[C@@H]1C[C@@H](CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1)N(C)C |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606281
PNG
(CHEMBL5203177 | US20230287003, Example 12q)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)[C@H](CO)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r|
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n/an/a 4.10n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606283
PNG
(CHEMBL5174171)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)[C@H](O)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606293
PNG
(CHEMBL5171631)
Show SMILES C[C@H]1C[C@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606292
PNG
(CHEMBL5180823)
Show SMILES C[C@@H]1C[C@@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606297
PNG
(CHEMBL5172688)
Show SMILES C[C@@H]1CCCN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
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n/an/a 25n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606296
PNG
(CHEMBL5172641)
Show SMILES C[C@H]1CCCN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
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n/an/a 37n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50511629
PNG
(CHEMBL4559074)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)C(CO)C3)cc2n(CCC(C)(C)O)c1=O
Show InChI InChI=1S/C23H29ClF2N6O3/c1-22(2,35)6-9-32-18-10-15(4-5-17(18)30(3)21(32)34)28-19-16(24)11-27-20(29-19)31-8-7-23(25,26)14(12-31)13-33/h4-5,10-11,14,33,35H,6-9,12-13H2,1-3H3,(H,27,28,29)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606285
PNG
(CHEMBL5200057)
Show SMILES C[C@H]1C[C@@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606286
PNG
(CHEMBL5187061)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)C(O)C3)cc2n(CCC(C)(C)O)c1=O
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50511632
PNG
(CHEMBL4445645)
Show SMILES C[C@H]1CN(C[C@@H](C)C1(F)F)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1 |r|
Show InChI InChI=1S/C24H31ClF2N6O2/c1-14-12-32(13-15(2)24(14,26)27)21-28-11-17(25)20(30-21)29-16-6-7-18-19(10-16)33(22(34)31(18)5)9-8-23(3,4)35/h6-7,10-11,14-15,35H,8-9,12-13H2,1-5H3,(H,28,29,30)/t14-,15+
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606290
PNG
(CHEMBL5205388 | US20230287003, Example 13d)
Show SMILES C[C@H]1C[C@@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606297
PNG
(CHEMBL5172688)
Show SMILES C[C@@H]1CCCN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606296
PNG
(CHEMBL5172641)
Show SMILES C[C@H]1CCCN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606295
PNG
(CHEMBL5171519)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC[C@H](O)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606294
PNG
(CHEMBL5181921)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC[C@@H](O)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606293
PNG
(CHEMBL5171631)
Show SMILES C[C@H]1C[C@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606292
PNG
(CHEMBL5180823)
Show SMILES C[C@@H]1C[C@@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606291
PNG
(CHEMBL5196650 | US20230287003, Example 13e)
Show SMILES C[C@@H]1C[C@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606290
PNG
(CHEMBL5205388 | US20230287003, Example 13d)
Show SMILES C[C@H]1C[C@@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
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n/an/an/an/a 0.700n/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606289
PNG
(CHEMBL5205838)
Show SMILES C[C@@H]1C[C@@H](CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1)N(C)C |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606288
PNG
(CHEMBL5193571)
Show SMILES C[C@H]1C[C@H](CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1)N(C)C |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606287
PNG
(CHEMBL5194697)
Show SMILES C[C@@H]1C[C@@H](CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1)NC(C)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606280
PNG
(CHEMBL5205212)
Show SMILES C[C@H]1C[C@H](CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1)NC(C)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606281
PNG
(CHEMBL5203177 | US20230287003, Example 12q)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)[C@H](CO)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606282
PNG
(CHEMBL5204505 | US20230287003, Example 12p)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)[C@@H](CO)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606283
PNG
(CHEMBL5174171)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)[C@H](O)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606284
PNG
(CHEMBL5208698)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)[C@@H](O)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r|
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n/an/an/an/a 7.10n/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606285
PNG
(CHEMBL5200057)
Show SMILES C[C@H]1C[C@@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50511629
PNG
(CHEMBL4559074)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)C(CO)C3)cc2n(CCC(C)(C)O)c1=O
Show InChI InChI=1S/C23H29ClF2N6O3/c1-22(2,35)6-9-32-18-10-15(4-5-17(18)30(3)21(32)34)28-19-16(24)11-27-20(29-19)31-8-7-23(25,26)14(12-31)13-33/h4-5,10-11,14,33,35H,6-9,12-13H2,1-3H3,(H,27,28,29)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606286
PNG
(CHEMBL5187061)
Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)C(O)C3)cc2n(CCC(C)(C)O)c1=O
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50606291
PNG
(CHEMBL5196650 | US20230287003, Example 13e)
Show SMILES C[C@@H]1C[C@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r|
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n/an/an/an/a>2.00E+3n/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
B-cell lymphoma 6 protein


(Homo sapiens)
BDBM50511632
PNG
(CHEMBL4445645)
Show SMILES C[C@H]1CN(C[C@@H](C)C1(F)F)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)n(CCC(C)(C)O)c3c2)n1 |r|
Show InChI InChI=1S/C24H31ClF2N6O2/c1-14-12-32(13-15(2)24(14,26)27)21-28-11-17(25)20(30-21)29-16-6-7-18-19(10-16)33(22(34)31(18)5)9-8-23(3,4)35/h6-7,10-11,14-15,35H,8-9,12-13H2,1-5H3,(H,28,29,30)/t14-,15+
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02175
BindingDB Entry DOI: 10.7270/Q23B6472
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)