Found 639 hits of ic50 for UniProtKB: P41182 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50260529
(CHEMBL4077626)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C83H121N21O20S/c1-10-44(6)67(102-76(118)62(38-65(109)110)99-79(121)68(45(7)106)103-75(117)59(35-47-25-27-50(108)28-26-47)96-74(116)61(37-49-40-91-54-21-14-12-19-52(49)54)97-72(114)58(34-42(2)3)92-46(8)107)78(120)95-55(22-15-30-88-82(84)85)69(111)94-57(29-33-125-9)70(112)100-63(41-105)77(119)98-60(36-48-39-90-53-20-13-11-18-51(48)53)73(115)93-56(23-16-31-89-83(86)87)71(113)101-66(43(4)5)80(122)104-32-17-24-64(104)81(123)124/h11-14,18-21,25-28,39-40,42-45,55-64,66-68,90-91,105-106,108H,10,15-17,22-24,29-38,41H2,1-9H3,(H,92,107)(H,93,115)(H,94,111)(H,95,120)(H,96,116)(H,97,114)(H,98,119)(H,99,121)(H,100,112)(H,101,113)(H,102,118)(H,103,117)(H,109,110)(H,123,124)(H4,84,85,88)(H4,86,87,89)/t44-,45+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-,68-/m0/s1 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cia SA
Curated by ChEMBL
| Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND |
J Med Chem 39: 2197-206 (1996)
Article DOI: 10.1021/jm9508853 |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50260529
(CHEMBL4077626)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C83H121N21O20S/c1-10-44(6)67(102-76(118)62(38-65(109)110)99-79(121)68(45(7)106)103-75(117)59(35-47-25-27-50(108)28-26-47)96-74(116)61(37-49-40-91-54-21-14-12-19-52(49)54)97-72(114)58(34-42(2)3)92-46(8)107)78(120)95-55(22-15-30-88-82(84)85)69(111)94-57(29-33-125-9)70(112)100-63(41-105)77(119)98-60(36-48-39-90-53-20-13-11-18-51(48)53)73(115)93-56(23-16-31-89-83(86)87)71(113)101-66(43(4)5)80(122)104-32-17-24-64(104)81(123)124/h11-14,18-21,25-28,39-40,42-45,55-64,66-68,90-91,105-106,108H,10,15-17,22-24,29-38,41H2,1-9H3,(H,92,107)(H,93,115)(H,94,111)(H,95,120)(H,96,116)(H,97,114)(H,98,119)(H,99,121)(H,100,112)(H,101,113)(H,102,118)(H,103,117)(H,109,110)(H,123,124)(H4,84,85,88)(H4,86,87,89)/t44-,45+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-,68-/m0/s1 | PDB
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Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal biotin-labelled BCoR (Arg498 to 514Pro residues) binding to recombinant FLAG-tagged BCL6 BTB (5 to 129 residues) (unknown or... |
Bioorg Med Chem 25: 4876-4886 (2017)
Article DOI: 10.1016/j.bmc.2017.07.037
BindingDB Entry DOI: 10.7270/Q2G44SR7 |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618556
(US20230287003, Example 11c)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3C4COCC3CC(O)C4)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r,THB:22:21:14:16.18.17| | PDB
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| | n/a | n/a | 1.17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618578
(US20230287003, Example 12v)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3C4CCC3COC4)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
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| | n/a | n/a | 1.38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606282
(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| | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM618557
(US20230287003, Example 12a)Show SMILES CN1CCN(CC1=O)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r| | PDB
UniProtKB/SwissProt
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| PC cid
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| | n/a | n/a | 1.51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618554
(US20230287003, Example 11a)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3C4COCC3CC(O)C4)cc2c2NC(C3CC3)C(F)(F)COc2c1=O |w:28.32,THB:22:21:14:16.18.17| | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| | n/a | n/a | 1.55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618585
(US20230287003, Example 13c)Show SMILES CN(C)C(=O)C1CC2COCC(C1)N2c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r,THB:3:5:13:8.10.9| | PDB
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| | n/a | n/a | 1.78 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618579
(US20230287003, Example 12w)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3C4CCC3CS(=O)(=O)C4)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
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| PC cid
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| | n/a | n/a | 1.86 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606290
(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| | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618583
(US20230287003, Example 13a)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCc4ncnc(O)c4C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| | n/a | n/a | 2.09 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618588
(US20230287003, Example 13f)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCN(CCC#N)CC3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| | n/a | n/a | 2.19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606290
(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| | PDB
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| PDB
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606281
(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| | PDB
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| PC cid
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UniChem
| | n/a | n/a | 2.24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606295
(CHEMBL5171519)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC[C@H](O)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50606291
(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| | PDB
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| | n/a | n/a | 2.51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618592
(US20230287003, Example 13j)Show SMILES Cn1c2ccc(Nc3nc(ncc3F)N3C4CCC3COC4)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| | n/a | n/a | 2.51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618584
(US20230287003, Example 13b)Show SMILES CN1C[C@H]2CC[C@H](N2c2ncc(Cl)c(Nc3ccc4n(C)c(=O)c5OCC(F)(F)[C@@H](Nc5c4c3)C3CC3)n2)C1=O |r,THB:8:7:2.1.38:4.5| | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| | n/a | n/a | 2.57 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50597108
(CHEMBL5184251 | US20230287003, Example 1v)Show SMILES Cn1c2ccc(Nc3ccnc(Cl)c3C#N)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
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| PDB
| n/a | n/a | 2.63 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618577
(US20230287003, Example 12u)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CC4CCC(C3)O4)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r,TLB:9:14:21:17.18| | PDB
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| | n/a | n/a | 2.63 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50239363
(CHEMBL4094351)Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)Nc4c(OC\C=C\CO2)c3)n2ncc(C#N)c2n1 |r,t:26| Show InChI InChI=1S/C25H25N7O4/c26-11-16-12-27-32-22-10-21(29-25(16)32)31-13-19(9-18(31)14-33)35-5-1-2-6-36-20-8-17(28-22)7-15-3-4-23(34)30-24(15)20/h1-2,7-8,10,12,18-19,28,33H,3-6,9,13-14H2,(H,30,34)/b2-1+/t18-,19-/m0/s1 | PDB
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| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Bcl6 (unknown origin) by TR-FRET assay |
J Med Chem 62: 9418-9437 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00716
BindingDB Entry DOI: 10.7270/Q2PV6PNH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606287
(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| | PDB
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| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50239363
(CHEMBL4094351)Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)Nc4c(OC\C=C\CO2)c3)n2ncc(C#N)c2n1 |r,t:26| Show InChI InChI=1S/C25H25N7O4/c26-11-16-12-27-32-22-10-21(29-25(16)32)31-13-19(9-18(31)14-33)35-5-1-2-6-36-20-8-17(28-22)7-15-3-4-23(34)30-24(15)20/h1-2,7-8,10,12,18-19,28,33H,3-6,9,13-14H2,(H,30,34)/b2-1+/t18-,19-/m0/s1 | PDB
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| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
J. Uriach & Cia SA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated... |
J Med Chem 39: 2197-206 (1996)
Article DOI: 10.1021/jm9508853 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606291
(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| | PDB
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| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50546197
(CHEMBL4755229)Show SMILES CNC(=O)COc1cc2cc(Nc3nc(ncc3Cl)N3CCC(CC3)C(=O)N(C)C)cc(OC)c2n(C)c1=O | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BCOR peptide binding to BCL6 BTB domain (5 to 129 residues) C8Q/C67R/C84N triple mutant (unknown origin) expressed in Escherichia coli ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00093
BindingDB Entry DOI: 10.7270/Q2MC93N5 |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM522280
(US11161839, Example 10a)Show SMILES Cn1c2ccc(Nc3ccnc(Cl)c3C#N)cc2c(NC(C)(C)c2ncc(cn2)C2CC2)cc1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BCOR peptide binding to human BCL6 expressed in Escherichia coli measured after 270 mins by BCOR ULight TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00946
BindingDB Entry DOI: 10.7270/Q2R21585 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606294
(CHEMBL5181921)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC[C@@H](O)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50546198
(CHEMBL4795171)Show SMILES CNC(=O)COc1cc2cc(Nc3nc(ncc3Cl)N3C[C@@H](C)C[C@@H](C)C3)cc(OC)c2n(C)c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BCOR peptide binding to BCL6 BTB domain (5 to 129 residues) C8Q/C67R/C84N triple mutant (unknown origin) expressed in Escherichia coli ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00093
BindingDB Entry DOI: 10.7270/Q2MC93N5 |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618589
(US20230287003, Example 13g)Show SMILES CN1CC2(C1)CN(C2)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618574
(US20230287003, Example 12r)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCOCC3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606288
(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| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM618575
(US20230287003, Example 12s)Show SMILES C[C@@H]1CN(CCO1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618576
(US20230287003, Example 12t)Show SMILES C[C@H]1CN(CCO1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606284
(CHEMBL5208698)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)[C@@H](O)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM618591
(US20230287003, Example 13i)Show SMILES CN1CCN(CC1=O)c1ncc(F)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606280
(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| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50606289
(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| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM618590
(US20230287003, Example 13h)Show SMILES CN1CC2CC(C1)N2c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r,TLB:0:1:4:7| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50597108
(CHEMBL5184251 | US20230287003, Example 1v)Show SMILES Cn1c2ccc(Nc3ccnc(Cl)c3C#N)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02174
BindingDB Entry DOI: 10.7270/Q2WQ07TK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606281
(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| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM618494
(US20230287003, Example 1q)Show SMILES Cn1c2ccc(Nc3ccnc(Cl)c3C#N)cc2c2NC(C3CC3)C(F)(F)COc2c1=O |w:20.22| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606282
(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| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.57 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606283
(CHEMBL5174171)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)[C@H](O)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50606293
(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| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM618580
(US20230287003, Example 12x)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CC(F)(F)C[C@@H]3CO)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 6.31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618555
(US20230287003, Example 11b)Show SMILES Cn1c2ncc(Nc3nc(ncc3Cl)N3C4COCC3CC(O)C4)cc2c2N[C@H](CCOc2c1=O)C1CC1 |r,THB:22:21:14:16.18.17| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 6.92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618498
(US20230287003, Example 1u)Show SMILES Cn1c2ccc(Nc3ccnc(Cl)c3C#N)cc2c2N[C@H](CCS(=O)(=O)c2c1=O)C1CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 7.08 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618595
(US20230287003, Example 15a)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3C4COCC3CC(O)C4)cc2c2N[C@H](CCSc2c1=O)C1CC1 |r,THB:22:21:14:16.17.18| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 7.59 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618528
(US20230287003, Example 5u)Show SMILES OC1CC2COCC(C1)N2c1ncc(Cl)c(Nc2ccc3n(CC4CC(F)(F)C4)c(=O)c4OCC[C@@H](Nc4c3c2)C2CC2)n1 |r,TLB:0:1:9:4.5.6| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 8.32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50602185
(CHEMBL5184651)Show SMILES CN1CCN2[C@H](C1)COCCOc1cc(Nc3nc2nc(F)c3Cl)cc2CCC(=O)N(C)c12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01433
BindingDB Entry DOI: 10.7270/Q2JM2FPW |
More data for this
Ligand-Target Pair | |
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