Found 23 hits with Last Name = 'balazs' and Initial = 'ays' 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 |
|---|
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50508937
(CHEMBL4448046)Show SMILES Cn1nc2CSCc3nn(C)c(Cl)c3-c3c(Cl)ccc4c(CCCOc5cc(SCc1c2)cc1ccccc51)c(C(O)=O)n(C)c34 Show InChI InChI=1S/C34H31Cl2N5O3S2/c1-39-31-25-10-11-26(35)29(31)30-27(38-41(3)33(30)36)18-45-16-20-14-21(40(2)37-20)17-46-22-13-19-7-4-5-8-23(19)28(15-22)44-12-6-9-24(25)32(39)34(42)43/h4-5,7-8,10-11,13-15H,6,9,12,16-18H2,1-3H3,(H,42,43) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mcl1 (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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50508939
(CHEMBL4443085)Show SMILES Cc1cc(CSCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c([nH]c23)C(O)=O)nn1C |(21.19,-26.33,;22.68,-25.93,;23.37,-24.56,;24.9,-24.79,;25.99,-23.71,;27.47,-24.11,;28.56,-23.02,;30.05,-23.42,;30.52,-24.88,;32.06,-24.88,;32.84,-26.21,;32.54,-23.42,;34.03,-23.02,;31.29,-22.51,;31.29,-20.97,;29.96,-20.21,;29.96,-18.67,;31.29,-17.89,;32.62,-18.66,;34.09,-18.19,;34.49,-16.7,;35.97,-16.3,;36.37,-14.82,;37.86,-14.42,;38.26,-12.93,;37.17,-11.83,;37.57,-10.35,;39.06,-9.95,;40.14,-11.03,;41.62,-10.63,;42.72,-11.71,;42.34,-13.2,;40.85,-13.61,;39.75,-12.52,;34.99,-19.43,;34.09,-20.68,;32.62,-20.2,;36.53,-19.43,;37.3,-20.76,;37.3,-18.1,;25.13,-26.32,;23.76,-27.02,;23.36,-28.5,)| Show InChI InChI=1S/C34H35N5O3S/c1-21-18-24(36-38(21)3)19-43-20-29-31(22(2)39(4)37-29)28-14-8-13-26-27(33(34(40)41)35-32(26)28)15-9-17-42-30-16-7-11-23-10-5-6-12-25(23)30/h5-8,10-14,16,18,35H,9,15,17,19-20H2,1-4H3,(H,40,41) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mcl1 (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) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50508950
(CHEMBL4472439)Show SMILES C[C@H]1CCN(C)C(=O)C[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)CN2c3ccccc3CC[C@H](NC(=O)C[C@H](Cc3ccc(Cl)cc3)N1)C2=O |r| Show InChI InChI=1S/C37H42Cl3N5O4/c1-23-15-16-44(2)36(48)21-29(18-25-9-13-30(39)31(40)19-25)42-35(47)22-45-33-6-4-3-5-26(33)10-14-32(37(45)49)43-34(46)20-28(41-23)17-24-7-11-27(38)12-8-24/h3-9,11-13,19,23,28-29,32,41H,10,14-18,20-22H2,1-2H3,(H,42,47)(H,43,46)/t23-,28-,29+,32-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mcl1 (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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50508947
(CHEMBL4460550)Show SMILES CN1CCCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O |r| Show InChI InChI=1S/C36H40Cl3N5O4/c1-43-16-4-15-40-27(17-23-7-11-26(37)12-8-23)20-33(45)42-31-14-10-25-5-2-3-6-32(25)44(36(31)48)22-34(46)41-28(21-35(43)47)18-24-9-13-29(38)30(39)19-24/h2-3,5-9,11-13,19,27-28,31,40H,4,10,14-18,20-22H2,1H3,(H,41,46)(H,42,45)/t27-,28+,31-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mcl1 (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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50508938
(CHEMBL1984039)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O |(-6.44,-15.46,;-4.9,-15.46,;-3.99,-16.71,;-2.53,-16.23,;-1.28,-17.14,;-2.53,-14.69,;-1.28,-13.79,;-3.99,-14.22,;-4.47,-12.75,;-5.97,-12.43,;-6.45,-10.97,;-5.42,-9.83,;-3.91,-10.15,;-2.67,-9.24,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;-1.42,-10.15,;-1.9,-11.61,;-3.44,-11.61,;.04,-9.67,;1.19,-10.7,;.36,-8.16,)| Show InChI InChI=1S/C28H27N3O3/c1-17-25(18(2)31(3)30-17)23-13-7-12-21-22(27(28(32)33)29-26(21)23)14-8-16-34-24-15-6-10-19-9-4-5-11-20(19)24/h4-7,9-13,15,29H,8,14,16H2,1-3H3,(H,32,33) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mcl1 (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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50508940
(CHEMBL4582512)Show SMILES C[C@@H]1CCN(C)C(=O)C[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)CN2c3ccccc3CC[C@H](NC(=O)C[C@H](Cc3ccc(Cl)cc3)N1)C2=O |r| Show InChI InChI=1S/C37H42Cl3N5O4/c1-23-15-16-44(2)36(48)21-29(18-25-9-13-30(39)31(40)19-25)42-35(47)22-45-33-6-4-3-5-26(33)10-14-32(37(45)49)43-34(46)20-28(41-23)17-24-7-11-27(38)12-8-24/h3-9,11-13,19,23,28-29,32,41H,10,14-18,20-22H2,1-2H3,(H,42,47)(H,43,46)/t23-,28+,29-,32+/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 739 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mcl1 (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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50508942
(CHEMBL4449849)Show SMILES CNC(=O)C[C@@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)CN1c2ccccc2CC[C@H](NC(=O)C[C@@H](N)Cc2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C33H36Cl3N5O4/c1-38-30(42)18-25(15-21-8-12-26(35)27(36)16-21)39-32(44)19-41-29-5-3-2-4-22(29)9-13-28(33(41)45)40-31(43)17-24(37)14-20-6-10-23(34)11-7-20/h2-8,10-12,16,24-25,28H,9,13-15,17-19,37H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t24-,25+,28-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mcl1 (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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50508941
(CHEMBL4442625)Show SMILES CC1CCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC(=O)N1C)C2=O |r| Show InChI InChI=1S/C37H42Cl3N5O4/c1-23-15-16-41-28(17-24-7-11-27(38)12-8-24)20-34(46)43-32-14-10-26-5-3-4-6-33(26)45(37(32)49)22-35(47)42-29(21-36(48)44(23)2)18-25-9-13-30(39)31(40)19-25/h3-9,11-13,19,23,28-29,32,41H,10,14-18,20-22H2,1-2H3,(H,42,47)(H,43,46)/t23?,28-,29+,32-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mcl1 (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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50508941
(CHEMBL4442625)Show SMILES CC1CCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC(=O)N1C)C2=O |r| Show InChI InChI=1S/C37H42Cl3N5O4/c1-23-15-16-41-28(17-24-7-11-27(38)12-8-24)20-34(46)43-32-14-10-26-5-3-4-6-33(26)45(37(32)49)22-35(47)42-29(21-36(48)44(23)2)18-25-9-13-30(39)31(40)19-25/h3-9,11-13,19,23,28-29,32,41H,10,14-18,20-22H2,1-2H3,(H,42,47)(H,43,46)/t23?,28-,29+,32-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mcl1 (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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50508936
(CHEMBL4590345)Show SMILES Clc1ccc(C[C@H]2CC(=O)N[C@H]3CCc4ccccc4N(CC(=O)N[C@H](Cc4ccc(Cl)c(Cl)c4)CC(=O)NCCCN2)C3=O)cc1 |r| Show InChI InChI=1S/C35H38Cl3N5O4/c36-25-10-6-22(7-11-25)16-26-19-33(45)42-30-13-9-24-4-1-2-5-31(24)43(35(30)47)21-34(46)41-27(20-32(44)40-15-3-14-39-26)17-23-8-12-28(37)29(38)18-23/h1-2,4-8,10-12,18,26-27,30,39H,3,9,13-17,19-21H2,(H,40,44)(H,41,46)(H,42,45)/t26-,27+,30-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mcl1 (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 | |
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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 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) | BDBM50508945
(CHEMBL4448503)Show SMILES C[C@@H]1CCCCN(C)c2cc(Nc3cc4CCC(=O)N(C)c4c(O1)c3)n1ncc(C#N)c1n2 |r| Show InChI InChI=1S/C24H27N7O2/c1-15-6-4-5-9-29(2)20-12-21(31-24(28-20)17(13-25)14-26-31)27-18-10-16-7-8-22(32)30(3)23(16)19(11-18)33-15/h10-12,14-15,27H,4-9H2,1-3H3/t15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | 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 | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50508944
(CHEMBL4517433)Show SMILES CN1C(=O)CCc2cc3Nc4cc(nc5c(cnn45)C#N)N(C)CCCCCOc(c3)c12 Show InChI InChI=1S/C23H25N7O2/c1-28-8-4-3-5-9-32-18-11-17(10-15-6-7-21(31)29(2)22(15)18)26-20-12-19(28)27-23-16(13-24)14-25-30(20)23/h10-12,14,26H,3-9H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 190 | 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 | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50508943
(CHEMBL4077836)Show SMILES OC[C@@H]1CCCN1c1cc(Nc2ccc3NC(=O)CCc3c2)n2ncc(C#N)c2n1 |r| Show InChI InChI=1S/C21H21N7O2/c22-10-14-11-23-28-19(9-18(26-21(14)28)27-7-1-2-16(27)12-29)24-15-4-5-17-13(8-15)3-6-20(30)25-17/h4-5,8-9,11,16,24,29H,1-3,6-7,12H2,(H,25,30)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 370 | 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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50508947
(CHEMBL4460550)Show SMILES CN1CCCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O |r| Show InChI InChI=1S/C36H40Cl3N5O4/c1-43-16-4-15-40-27(17-23-7-11-26(37)12-8-23)20-33(45)42-31-14-10-25-5-2-3-6-32(25)44(36(31)48)22-34(46)41-28(21-35(43)47)18-24-9-13-29(38)30(39)19-24/h2-3,5-9,11-13,19,27-28,31,40H,4,10,14-18,20-22H2,1H3,(H,41,46)(H,42,45)/t27-,28+,31-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl1 (unknown origin) by SPR 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 | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50508949
(CHEMBL4061857)Show SMILES OC(=O)C[C@@H]1CCCN1c1cc(Nc2ccc3NC(=O)CCc3c2)n2ncc(C#N)c2n1 |r| Show InChI InChI=1S/C22H21N7O3/c23-11-14-12-24-29-19(25-15-4-5-17-13(8-15)3-6-20(30)26-17)10-18(27-22(14)29)28-7-1-2-16(28)9-21(31)32/h4-5,8,10,12,16,25H,1-3,6-7,9H2,(H,26,30)(H,31,32)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl6 (unknown origin) by SPR 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) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50508948
(CHEMBL4473598)Show SMILES CN1CCCN[C@@H](Cc2ccc(cc2)S(C)(=O)=O)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(CCc4ccccc4)c3)CC1=O)C2=O |r| Show InChI InChI=1S/C45H52ClN5O6S/c1-50-24-8-23-47-36(26-32-14-19-38(20-15-32)58(2,56)57)28-42(52)49-40-22-18-34-11-6-7-12-41(34)51(45(40)55)30-43(53)48-37(29-44(50)54)27-33-16-21-39(46)35(25-33)17-13-31-9-4-3-5-10-31/h3-7,9-12,14-16,19-21,25,36-37,40,47H,8,13,17-18,22-24,26-30H2,1-2H3,(H,48,53)(H,49,52)/t36-,37+,40-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl1 (unknown origin) by SPR 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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50508937
(CHEMBL4448046)Show SMILES Cn1nc2CSCc3nn(C)c(Cl)c3-c3c(Cl)ccc4c(CCCOc5cc(SCc1c2)cc1ccccc51)c(C(O)=O)n(C)c34 Show InChI InChI=1S/C34H31Cl2N5O3S2/c1-39-31-25-10-11-26(35)29(31)30-27(38-41(3)33(30)36)18-45-16-20-14-21(40(2)37-20)17-46-22-13-19-7-4-5-8-23(19)28(15-22)44-12-6-9-24(25)32(39)34(42)43/h4-5,7-8,10-11,13-15H,6,9,12,16-18H2,1-3H3,(H,42,43) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl1 (unknown origin) by SPR 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 | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50508946
(CHEMBL4093431)Show SMILES [H][C@]12CCN(C1)c1cc(Nc3cc4CCC(=O)Nc4c(OC\C=C\CO2)c3)n2ncc(C#N)c2n1 |r,t:24| Show InChI InChI=1S/C24H23N7O3/c25-12-16-13-26-31-21-11-20(28-24(16)31)30-6-5-18(14-30)33-7-1-2-8-34-19-10-17(27-21)9-15-3-4-22(32)29-23(15)19/h1-2,9-11,13,18,27H,3-8,14H2,(H,29,32)/b2-1+/t18-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl6 (unknown origin) by SPR 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 | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50508938
(CHEMBL1984039)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O |(-6.44,-15.46,;-4.9,-15.46,;-3.99,-16.71,;-2.53,-16.23,;-1.28,-17.14,;-2.53,-14.69,;-1.28,-13.79,;-3.99,-14.22,;-4.47,-12.75,;-5.97,-12.43,;-6.45,-10.97,;-5.42,-9.83,;-3.91,-10.15,;-2.67,-9.24,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;-1.42,-10.15,;-1.9,-11.61,;-3.44,-11.61,;.04,-9.67,;1.19,-10.7,;.36,-8.16,)| Show InChI InChI=1S/C28H27N3O3/c1-17-25(18(2)31(3)30-17)23-13-7-12-21-22(27(28(32)33)29-26(21)23)14-8-16-34-24-15-6-10-19-9-4-5-11-20(19)24/h4-7,9-13,15,29H,8,14,16H2,1-3H3,(H,32,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl6 (unknown origin) by SPR 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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50508936
(CHEMBL4590345)Show SMILES Clc1ccc(C[C@H]2CC(=O)N[C@H]3CCc4ccccc4N(CC(=O)N[C@H](Cc4ccc(Cl)c(Cl)c4)CC(=O)NCCCN2)C3=O)cc1 |r| Show InChI InChI=1S/C35H38Cl3N5O4/c36-25-10-6-22(7-11-25)16-26-19-33(45)42-30-13-9-24-4-1-2-5-31(24)43(35(30)47)21-34(46)41-27(20-32(44)40-15-3-14-39-26)17-23-8-12-28(37)29(38)18-23/h1-2,4-8,10-12,18,26-27,30,39H,3,9,13-17,19-21H2,(H,40,44)(H,41,46)(H,42,45)/t26-,27+,30-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.48E+3 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl1 (unknown origin) by SPR 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 | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50508939
(CHEMBL4443085)Show SMILES Cc1cc(CSCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c([nH]c23)C(O)=O)nn1C |(21.19,-26.33,;22.68,-25.93,;23.37,-24.56,;24.9,-24.79,;25.99,-23.71,;27.47,-24.11,;28.56,-23.02,;30.05,-23.42,;30.52,-24.88,;32.06,-24.88,;32.84,-26.21,;32.54,-23.42,;34.03,-23.02,;31.29,-22.51,;31.29,-20.97,;29.96,-20.21,;29.96,-18.67,;31.29,-17.89,;32.62,-18.66,;34.09,-18.19,;34.49,-16.7,;35.97,-16.3,;36.37,-14.82,;37.86,-14.42,;38.26,-12.93,;37.17,-11.83,;37.57,-10.35,;39.06,-9.95,;40.14,-11.03,;41.62,-10.63,;42.72,-11.71,;42.34,-13.2,;40.85,-13.61,;39.75,-12.52,;34.99,-19.43,;34.09,-20.68,;32.62,-20.2,;36.53,-19.43,;37.3,-20.76,;37.3,-18.1,;25.13,-26.32,;23.76,-27.02,;23.36,-28.5,)| Show InChI InChI=1S/C34H35N5O3S/c1-21-18-24(36-38(21)3)19-43-20-29-31(22(2)39(4)37-29)28-14-8-13-26-27(33(34(40)41)35-32(26)28)15-9-17-42-30-16-7-11-23-10-5-6-12-25(23)30/h5-8,10-14,16,18,35H,9,15,17,19-20H2,1-4H3,(H,40,41) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl1 (unknown origin) by SPR 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) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | 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
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl1 (unknown origin) by SPR 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 | |
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