Found 2700 hits with Last Name = 'jiang' and Initial = 'z' 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 |
|---|
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM25771
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2 | PDB
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| DrugBank
PDB
Article
PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay |
J Med Chem 53: 3675-84 (2010)
Article DOI: 10.1021/jm100068m
BindingDB Entry DOI: 10.7270/Q27H1JRT |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM333146
(Compound I | US10196404, Example 1 | US10196404, E...)Show SMILES Cc1c-2c(CSCc3cc(CSc4cc(OCCCc5c(C(O)=O)n(C)c6c-2c(Cl)ccc56)c2ccccc2c4)n(C)n3)nn1C Show InChI InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43) | PDB
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| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50519614
(CHEMBL4439276)Show SMILES CN1CCN(CCOc2ccc(-c3c(sc4ncnc(O[C@H](Cc5ccccc5OCc5ccnn5CC(F)(F)F)C(O)=O)c34)-c3ccc(F)o3)c(C)c2Cl)CC1 |r,wD:21.21,(19.44,-4.89,;18.41,-6.03,;18.89,-7.5,;17.87,-8.64,;16.35,-8.32,;15.33,-9.47,;15.81,-10.94,;14.78,-12.09,;15.27,-13.55,;16.78,-13.86,;17.26,-15.32,;16.23,-16.47,;16.71,-17.93,;15.81,-19.18,;16.72,-20.42,;18.18,-19.94,;19.51,-20.71,;20.85,-19.94,;20.85,-18.39,;19.51,-17.62,;19.51,-16.08,;20.84,-15.31,;20.83,-13.77,;22.16,-13,;23.49,-13.77,;24.82,-12.99,;24.82,-11.45,;23.47,-10.69,;22.15,-11.46,;20.81,-10.71,;20.79,-9.17,;22.12,-8.38,;23.53,-9,;24.55,-7.84,;23.76,-6.51,;22.26,-6.85,;21.1,-5.83,;21.09,-4.29,;22.42,-3.51,;19.76,-3.52,;21.09,-2.75,;22.17,-16.08,;23.5,-15.3,;22.18,-17.62,;18.17,-18.4,;14.27,-19.19,;13.36,-17.95,;11.89,-18.43,;11.9,-19.97,;10.66,-20.88,;13.37,-20.44,;14.73,-16.16,;13.7,-17.31,;14.24,-14.71,;12.73,-14.4,;15.87,-6.87,;16.9,-5.72,)| Show InChI InChI=1S/C39H37ClF4N6O6S/c1-23-26(7-8-28(34(23)40)53-18-17-49-15-13-48(2)14-16-49)32-33-36(45-22-46-37(33)57-35(32)29-9-10-31(41)55-29)56-30(38(51)52)19-24-5-3-4-6-27(24)54-20-25-11-12-47-50(25)21-39(42,43)44/h3-12,22,30H,13-21H2,1-2H3,(H,51,52)/t30-/m1/s1 | PDB
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| PDB
Article
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| <1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to C-terminal MBP-fused human MCL1 (173 to 321 residues) expressed in Escherichia coli BL21(DE3)pLysS incubated for 2 hrs by fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50318156
(CHEMBL1094785 | carmoterol)Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r| Show InChI InChI=1S/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/t13-,19+/m1/s1 | PDB
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| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay |
J Med Chem 53: 3675-84 (2010)
Article DOI: 10.1021/jm100068m
BindingDB Entry DOI: 10.7270/Q27H1JRT |
More data for this
Ligand-Target Pair | |
Sphingosine kinase 2
(Homo sapiens (Human)) | BDBM50041978
(CHEMBL3134157)Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r| Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1 | UniProtKB/SwissProt
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Heriot-Watt University
Curated by ChEMBL
| Assay Description
Inhibition of SK2 (unknown origin) |
J Med Chem 62: 3658-3676 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00162
BindingDB Entry DOI: 10.7270/Q2QV3QZ4 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50078163
(CHEMBL3417704)Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1 |(-21.22,-16.71,;-19.99,-16.7,;-19.36,-17.76,;-19.23,-15.36,;-19.85,-14.3,;-20.46,-15.37,;-17.68,-15.35,;-16.91,-16.68,;-15.37,-16.67,;-14.6,-15.33,;-15.38,-14,;-16.92,-14.01,;-13.06,-15.32,;-12.28,-16.64,;-10.74,-16.63,;-9.98,-15.29,;-8.44,-15.28,;-7.69,-13.93,;-6.15,-13.92,;-5.26,-12.68,;-3.79,-13.11,;-2.81,-12.36,;-3.77,-14.65,;-5.22,-15.15,;-5.58,-16.33,;-5.74,-11.22,;-7.27,-10.9,;-7.75,-9.44,;-6.72,-8.27,;-5.21,-8.6,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.57,;-1.29,-8.05,;-.35,-8.85,;-1.06,-6.84,;-3.2,-10.04,;-2.28,-11.27,;-.75,-11.09,;.17,-12.33,;1.7,-12.15,;2.62,-13.39,;2.01,-14.8,;.48,-14.98,;-.44,-13.74,;-4.73,-10.05,;-10.76,-13.96,;-12.3,-13.98,)| Show InChI InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55) | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576654
(CHEMBL4845828)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(O)cc1 | PDB
MMDB
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KEGG
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| PC cid
PC sid
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| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576622
(CHEMBL4850731)Show SMILES CC(=O)c1ccc(cc1)S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50151720
(ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...)Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r| Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1 | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay |
J Med Chem 53: 3675-84 (2010)
Article DOI: 10.1021/jm100068m
BindingDB Entry DOI: 10.7270/Q27H1JRT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50092312
(Birabresib | MK-8628 | OTX-015)Show SMILES [H][C@@]1(CC(=O)Nc2ccc(O)cc2)N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1 | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114423
BindingDB Entry DOI: 10.7270/Q2S46WZQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576653
(CHEMBL4848900)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(Br)cc1 | PDB
MMDB
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KEGG
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| PC cid
PC sid
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| Article
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576650
(CHEMBL4865403)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1cccc(Br)c1 | PDB
MMDB
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KEGG
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UniChem
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576652
(CHEMBL4872248)Show SMILES COc1ccc(cc1)S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C | PDB
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| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576655
(CHEMBL4848433)Show SMILES CCc1ccc(cc1)S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C | PDB
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KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50318159
(8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-y...)Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1 | PDB
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PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay |
J Med Chem 53: 3675-84 (2010)
Article DOI: 10.1021/jm100068m
BindingDB Entry DOI: 10.7270/Q27H1JRT |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50591847
(CHEMBL5194033)Show SMILES COc1ccc(NC(=O)c2ccc(NC3=C(C)C(=O)CC3)c(Cl)c2)cc1 |c:14| | PDB
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| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114423
BindingDB Entry DOI: 10.7270/Q2S46WZQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576639
(CHEMBL4866213)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1cccs1 | PDB
MMDB
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KEGG
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| PC cid
PC sid
UniChem
| Article
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50318157
(8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-di-n-butylindan-...)Show SMILES CCCCc1cc2CC(Cc2cc1CCCC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C28H36N2O3/c1-3-5-7-18-13-20-15-22(16-21(20)14-19(18)8-6-4-2)29-17-26(32)23-9-11-25(31)28-24(23)10-12-27(33)30-28/h9-14,22,26,29,31-32H,3-8,15-17H2,1-2H3,(H,30,33)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay |
J Med Chem 53: 3675-84 (2010)
Article DOI: 10.1021/jm100068m
BindingDB Entry DOI: 10.7270/Q27H1JRT |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50318158
(8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-di-n-propylindan...)Show SMILES CCCc1cc2CC(Cc2cc1CCC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C26H32N2O3/c1-3-5-16-11-18-13-20(14-19(18)12-17(16)6-4-2)27-15-24(30)21-7-9-23(29)26-22(21)8-10-25(31)28-26/h7-12,20,24,27,29-30H,3-6,13-15H2,1-2H3,(H,28,31)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 119 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay |
J Med Chem 53: 3675-84 (2010)
Article DOI: 10.1021/jm100068m
BindingDB Entry DOI: 10.7270/Q27H1JRT |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576631
(CHEMBL4849603)Show SMILES CCc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(C)cc1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576659
(CHEMBL4862358)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(cc1)-c1ccccc1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576658
(CHEMBL4868509)Show SMILES CCOc1ccc(cc1)S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576651
(CHEMBL4860413)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1cccc(O)c1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576647
(CHEMBL4851153)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccccc1O | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576628
(CHEMBL4872240)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(C)cc1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576656
(CHEMBL4868575)Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576663
(CHEMBL4849319)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(Cl)cc1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576643
(CHEMBL4856732)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccccc1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576649
(CHEMBL4873637)Show SMILES COc1cccc(c1)S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576661
(CHEMBL4873329)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50318161
(8-Hydroxy-5-[(R)-1-hydroxy-2-(indan-2-ylamino)-eth...)Show SMILES O[C@@H](CNC1Cc2ccccc2C1)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C20H20N2O3/c23-17-7-5-15(16-6-8-19(25)22-20(16)17)18(24)11-21-14-9-12-3-1-2-4-13(12)10-14/h1-8,14,18,21,23-24H,9-11H2,(H,22,25)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 218 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay |
J Med Chem 53: 3675-84 (2010)
Article DOI: 10.1021/jm100068m
BindingDB Entry DOI: 10.7270/Q27H1JRT |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576634
(CHEMBL4853919)Show SMILES CC(C)Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(C)cc1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576662
(CHEMBL4878600)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(F)cc1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576666
(CHEMBL4872295)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(N)cc1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576657
(CHEMBL4848776)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(cc1)C(C)(C)C | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50318155
(8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-dimethoxyindan-2...)Show SMILES COc1cc2CC(Cc2cc1OC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C22H24N2O5/c1-28-19-9-12-7-14(8-13(12)10-20(19)29-2)23-11-18(26)15-3-5-17(25)22-16(15)4-6-21(27)24-22/h3-6,9-10,14,18,23,25-26H,7-8,11H2,1-2H3,(H,24,27)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 342 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay |
J Med Chem 53: 3675-84 (2010)
Article DOI: 10.1021/jm100068m
BindingDB Entry DOI: 10.7270/Q27H1JRT |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576640
(CHEMBL4846014)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1cccc2ccccc12 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576660
(CHEMBL4849994)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | CHEMBL5283368
| MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
UniChem
| | 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576664
(CHEMBL4852847)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576665
(CHEMBL4857430)Show SMILES Cc1c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1S(=O)(=O)c1ccc(cc1)C(O)=O | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576645
(CHEMBL4851400)Show SMILES COc1ccccc1S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576625
(CHEMBL4871992)Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576644
(CHEMBL4846741)Show SMILES CC(=O)c1ccccc1S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50318160
(8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-dimethylindan-2-...)Show SMILES Cc1cc2CC(Cc2cc1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C22H24N2O3/c1-12-7-14-9-16(10-15(14)8-13(12)2)23-11-20(26)17-3-5-19(25)22-18(17)4-6-21(27)24-22/h3-8,16,20,23,25-26H,9-11H2,1-2H3,(H,24,27)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 522 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay |
J Med Chem 53: 3675-84 (2010)
Article DOI: 10.1021/jm100068m
BindingDB Entry DOI: 10.7270/Q27H1JRT |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576648
(CHEMBL4849257)Show SMILES CC(=O)c1cccc(c1)S(=O)(=O)c1c(C)c(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576635
(CHEMBL4865519)Show SMILES Cc1c(Sc2ccc(C)cc2)c(C)n(CCCOc2cc(C)c(Cl)c(C)c2)c1C(O)=O | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50318154
(8-Hydroxy-5-[(R)-1-hydroxy-2-(4,7-diethylindan-2-y...)Show SMILES CCc1ccc(CC)c2CC(Cc12)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-3-14-5-6-15(4-2)20-12-16(11-19(14)20)25-13-22(28)17-7-9-21(27)24-18(17)8-10-23(29)26-24/h5-10,16,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 692 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay |
J Med Chem 53: 3675-84 (2010)
Article DOI: 10.1021/jm100068m
BindingDB Entry DOI: 10.7270/Q27H1JRT |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50576624
(CHEMBL4846109)Show SMILES Cc1ccc(cc1)C(=O)c1cc(C(O)=O)n(CCCOc2cc(C)c(Cl)c(C)c2)c1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00682
BindingDB Entry DOI: 10.7270/Q2MC93VV |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50591847
(CHEMBL5194033)Show SMILES COc1ccc(NC(=O)c2ccc(NC3=C(C)C(=O)CC3)c(Cl)c2)cc1 |c:14| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 718 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114423
BindingDB Entry DOI: 10.7270/Q2S46WZQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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