Found 35 hits of Enzyme Inhibition Constant Data 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 |
|---|
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50162774
(ABT-199 | US11420968, Example ABT-199 | Venetoclax)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54) | PDB
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| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 (unknown origin) by TR-FRET assay |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50270877
((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1 | PDB
MMDB
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Reactome pathway
KEGG
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CHEMBL
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| PDB
Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-xL (unknown origin) by fluorescence polarization assay |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50270877
((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1 | PDB
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CHEMBL
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| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 (unknown origin) by fluorescence polarization assay |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50304179
(CHEMBL4159388)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)C(CCCn3c12)c1cc(C(O)=O)c2ccn(C)c2c1 |(.79,-3.59,;2.26,-3.11,;2.73,-1.65,;4.27,-1.65,;5.18,-.4,;4.75,-3.11,;6.22,-3.59,;3.51,-4.02,;3.51,-5.56,;2.19,-6.34,;.85,-5.57,;2.19,-7.88,;3.51,-8.64,;4.85,-7.87,;6.31,-8.34,;7.07,-9.67,;6.3,-11,;7.06,-12.34,;6.28,-13.67,;7.04,-15.01,;8.58,-15.01,;9.34,-16.34,;10.88,-16.34,;8.57,-17.68,;9.33,-19.02,;7.02,-17.67,;6.24,-19,;6.26,-16.33,;7.21,-7.09,;8.75,-7.15,;9.36,-8.57,;9.76,-5.98,;9.46,-4.47,;8.11,-3.75,;6.7,-4.37,;6.3,-5.86,;4.84,-6.34,;11.24,-6.38,;12.32,-5.29,;13.81,-5.69,;14.9,-4.6,;16.39,-5.01,;14.51,-3.12,;14.21,-7.18,;15.58,-7.88,;15.34,-9.4,;13.82,-9.64,;13.13,-11.01,;13.12,-8.27,;11.64,-7.87,)| Show InChI InChI=1S/C40H40Cl2N4O4/c1-21-17-26(18-22(2)36(21)42)50-16-8-10-29-30-11-12-32(41)35(34-23(3)43-45(6)24(34)4)37(30)46-14-7-9-27(39(47)38(29)46)25-19-31(40(48)49)28-13-15-44(5)33(28)20-25/h11-13,15,17-20,27H,7-10,14,16H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
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| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of His6 tagged MBP fused Mcl-1 (unknown origin) after 0.5 hrs by fluorescence polarization assay |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50162774
(ABT-199 | US11420968, Example ABT-199 | Venetoclax)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54) | PDB
MMDB
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KEGG
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| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-xL (unknown origin) by TR-FRET assay |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50303503
(CHEMBL4160782 | US10858316, Compound SF-5-141)Show SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N2CC(Cc3ccccc23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C24H22ClNO5S/c1-15-11-20(12-16(2)23(15)25)31-19-7-9-21(10-8-19)32(29,30)26-14-18(24(27)28)13-17-5-3-4-6-22(17)26/h3-12,18H,13-14H2,1-2H3,(H,27,28) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of FITC-BAK binding to His6 tagged MBP fused recombinant human MCL1 (172 to 327 residues) expressed in Escherichia coli by fluorescence po... |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50303216
(CHEMBL4165406)Show SMILES CC(C)c1cc2cc(c(O)c(C=O)c2c(O)c1O)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(4.39,-16.38,;5.72,-15.61,;7.06,-16.39,;5.72,-14.07,;7.06,-13.3,;7.05,-11.76,;8.37,-10.99,;8.37,-9.46,;7.03,-8.69,;7.03,-7.15,;5.72,-9.46,;4.38,-8.7,;4.37,-7.16,;5.72,-10.99,;4.39,-11.76,;3.06,-10.99,;4.39,-13.3,;3.06,-14.07,;9.7,-8.67,;11.04,-9.43,;11.05,-10.97,;12.37,-8.65,;12.35,-7.11,;13.67,-6.33,;15.01,-7.08,;15.03,-8.62,;16.34,-6.3,;13.66,-4.78,;14.98,-4,;12.3,-4.03,;12.28,-2.49,;10.98,-4.82,;9.64,-4.07,;9.62,-2.53,;11,-6.35,;9.68,-7.14,;8.34,-6.39,)| Show InChI InChI=1S/C29H28O8/c1-11(2)15-7-14-8-17(24(32)18(9-30)22(14)29(37)25(15)33)21-13(5)6-16-20(12(3)4)28(36)26(34)19(10-31)23(16)27(21)35/h6-12,32-37H,1-5H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against hog plasma renin |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50303352
(CHEMBL4164057)Show SMILES COc1cc(CC(=O)NCc2ccc(cc2)C(=O)N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc(OC)c1OC Show InChI InChI=1S/C36H39N3O5/c1-42-32-21-27(22-33(43-2)35(32)44-3)23-34(40)37-24-26-13-15-29(16-14-26)36(41)39-19-17-38(18-20-39)25-30-11-7-8-12-31(30)28-9-5-4-6-10-28/h4-16,21-22H,17-20,23-25H2,1-3H3,(H,37,40) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 26 residues truncated 5-FAM labelled Bid-BH3 binding to MCL1 (unknown origin) by fluorescence polarization assay |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50303139
(CHEMBL4171930)Show SMILES COc1cc(NC(=O)CCC(=O)N2CCN(Cc3cccc(c3)-c3ccc(Cl)cc3)CC2)cc(OC)c1OC Show InChI InChI=1S/C30H34ClN3O5/c1-37-26-18-25(19-27(38-2)30(26)39-3)32-28(35)11-12-29(36)34-15-13-33(14-16-34)20-21-5-4-6-23(17-21)22-7-9-24(31)10-8-22/h4-10,17-19H,11-16,20H2,1-3H3,(H,32,35) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 26 residues truncated 5-FAM labelled Bid-BH3 binding to MCL1 (unknown origin) by fluorescence polarization assay |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50303216
(CHEMBL4165406)Show SMILES CC(C)c1cc2cc(c(O)c(C=O)c2c(O)c1O)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(4.39,-16.38,;5.72,-15.61,;7.06,-16.39,;5.72,-14.07,;7.06,-13.3,;7.05,-11.76,;8.37,-10.99,;8.37,-9.46,;7.03,-8.69,;7.03,-7.15,;5.72,-9.46,;4.38,-8.7,;4.37,-7.16,;5.72,-10.99,;4.39,-11.76,;3.06,-10.99,;4.39,-13.3,;3.06,-14.07,;9.7,-8.67,;11.04,-9.43,;11.05,-10.97,;12.37,-8.65,;12.35,-7.11,;13.67,-6.33,;15.01,-7.08,;15.03,-8.62,;16.34,-6.3,;13.66,-4.78,;14.98,-4,;12.3,-4.03,;12.28,-2.49,;10.98,-4.82,;9.64,-4.07,;9.62,-2.53,;11,-6.35,;9.68,-7.14,;8.34,-6.39,)| Show InChI InChI=1S/C29H28O8/c1-11(2)15-7-14-8-17(24(32)18(9-30)22(14)29(37)25(15)33)21-13(5)6-16-20(12(3)4)28(36)26(34)19(10-31)23(16)27(21)35/h6-12,32-37H,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 (unknown origin) by fluorescence polarization assay |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50162774
(ABT-199 | US11420968, Example ABT-199 | Venetoclax)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| Purchase
KEGG
PC cid
PC sid
UniChem
Similars
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PubMed
| >444 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of Mcl-1 (unknown origin) by TR-FRET assay |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50304178
(CHEMBL4164713)Show SMILES OC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C22H16ClNO5S/c23-17-6-3-4-15(12-17)14-29-18-8-10-19(11-9-18)30(27,28)24-20-7-2-1-5-16(20)13-21(24)22(25)26/h1-13H,14H2,(H,25,26) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Displacement of FAM labelled Bid-derived peptide from MCL1 (unknown origin) incubated for 1 min by fluorescence polarization assay |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50303216
(CHEMBL4165406)Show SMILES CC(C)c1cc2cc(c(O)c(C=O)c2c(O)c1O)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(4.39,-16.38,;5.72,-15.61,;7.06,-16.39,;5.72,-14.07,;7.06,-13.3,;7.05,-11.76,;8.37,-10.99,;8.37,-9.46,;7.03,-8.69,;7.03,-7.15,;5.72,-9.46,;4.38,-8.7,;4.37,-7.16,;5.72,-10.99,;4.39,-11.76,;3.06,-10.99,;4.39,-13.3,;3.06,-14.07,;9.7,-8.67,;11.04,-9.43,;11.05,-10.97,;12.37,-8.65,;12.35,-7.11,;13.67,-6.33,;15.01,-7.08,;15.03,-8.62,;16.34,-6.3,;13.66,-4.78,;14.98,-4,;12.3,-4.03,;12.28,-2.49,;10.98,-4.82,;9.64,-4.07,;9.62,-2.53,;11,-6.35,;9.68,-7.14,;8.34,-6.39,)| Show InChI InChI=1S/C29H28O8/c1-11(2)15-7-14-8-17(24(32)18(9-30)22(14)29(37)25(15)33)21-13(5)6-16-20(12(3)4)28(36)26(34)19(10-31)23(16)27(21)35/h6-12,32-37H,1-5H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-xL (unknown origin) by fluorescence polarization assay |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM53290
(2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynapht...)Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O Show InChI InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22) | PDB
MMDB
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| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of porcine pepsin at pH 2.0 |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50270877
((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1 | PDB
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MMDB
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PDB
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| Article
PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of Mcl-1 (unknown origin) by fluorescence polarization assay |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50013839
(CHEMBL2030270)Show InChI InChI=1S/C16H13NO5S3/c18-14(19)9-24-13-8-12(10-4-1-2-5-11(10)16(13)20)17-25(21,22)15-6-3-7-23-15/h1-8,17,20H,9H2,(H,18,19) | PDB
MMDB
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CHEMBL
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| 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of MCL1 (unknown origin) by fluorescence polarization assay |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50303215
(CHEMBL4167501)Show SMILES Cc1cc(Oc2ccc(C(O)=O)c(OCc3ccccc3)n2)cc(C)c1Cl Show InChI InChI=1S/C21H18ClNO4/c1-13-10-16(11-14(2)19(13)22)27-18-9-8-17(21(24)25)20(23-18)26-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,24,25) | PDB
MMDB
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Similars
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PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of FITC-BAK binding to MCL1 (172 to 327 residues) (unknown origin) by fluorescence polarization assay |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50304178
(CHEMBL4164713)Show SMILES OC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C22H16ClNO5S/c23-17-6-3-4-15(12-17)14-29-18-8-10-19(11-9-18)30(27,28)24-20-7-2-1-5-16(20)13-21(24)22(25)26/h1-13H,14H2,(H,25,26) | PDB
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antibodypedia
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| PC cid
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Similars
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| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Displacement of FAM labelled Bid-derived peptide from Bcl-2 (unknown origin) incubated for 1 min by fluorescence polarization assay |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM203869
(7-(3-((4-Borono-3-formylphenoxy)methyl)-1,5-dimeth...)Show SMILES Cc1c(c(COc2ccc(B(O)O)c(C=O)c2)nn1C)-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O |(.05,-1.8,;-1.28,-2.57,;-2.53,-1.66,;-3.78,-2.57,;-5.11,-1.8,;-6.2,-2.88,;-7.53,-2.11,;-7.53,-.57,;-8.87,.2,;-10.2,-.57,;-11.29,.51,;-10.89,2,;-12.78,.91,;-10.2,-2.11,;-11.53,-2.88,;-10.76,-4.22,;-8.87,-2.88,;-3.3,-4.03,;-1.76,-4.03,;-.67,-5.12,;-2.48,-.6,;-3.81,.17,;-3.81,1.71,;-2.48,2.48,;-1.14,1.71,;.32,2.18,;-.08,3.67,;1.01,4.76,;.62,6.24,;1.7,7.33,;1.31,8.82,;-.03,9.59,;-.03,11.13,;1.31,11.9,;2.64,11.13,;3.97,11.9,;5.31,11.13,;5.31,9.59,;3.97,8.82,;2.64,9.59,;1.23,.94,;.32,-.31,;-1.14,.17,;2.77,.94,;3.86,-.15,;3.86,2.02,)| Show InChI InChI=1S/C35H32BN3O7/c1-21-32(30(38-39(21)2)20-46-24-15-16-29(36(43)44)23(18-24)19-40)28-12-6-11-26-27(34(35(41)42)37-33(26)28)13-7-17-45-31-14-5-9-22-8-3-4-10-25(22)31/h3-6,8-12,14-16,18-19,37,43-44H,7,13,17,20H2,1-2H3,(H,41,42) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of FAM labelled Bid-BH3 binding to N-terminal GST-tagged human recombinant MCL1 expressed in Escherichia coli BL2(DE3) after 60 mins by TR... |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM203875
(7-(3-((4-Borono-3-formylphenoxy)methyl)-1,5-dimeth...)Show SMILES Cc1c(c(COc2ccc(B(O)O)c(C=O)c2)nn1C)-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(C)c12 |(.34,-2.6,;-1.28,-2.57,;-2.53,-1.66,;-3.78,-2.57,;-5.11,-1.8,;-6.2,-2.88,;-7.53,-2.11,;-7.53,-.57,;-8.87,.2,;-10.2,-.57,;-11.29,.51,;-10.89,2,;-12.78,.91,;-10.2,-2.11,;-11.53,-2.88,;-10.76,-4.22,;-8.87,-2.88,;-3.3,-4.03,;-1.76,-4.03,;-.67,-5.12,;-2.48,-.6,;-3.81,.17,;-3.81,1.71,;-2.48,2.48,;-1.14,1.71,;.32,2.18,;-.08,3.67,;1.01,4.76,;.62,6.24,;1.7,7.33,;1.31,8.82,;-.03,9.59,;-.03,11.13,;1.31,11.9,;2.64,11.13,;3.97,11.9,;5.31,11.13,;5.31,9.59,;3.97,8.82,;2.64,9.59,;1.23,.94,;2.77,.94,;3.86,-.15,;3.86,2.02,;.32,-.31,;1.22,-1.52,;-1.14,.17,)| Show InChI InChI=1S/C36H34BN3O7/c1-22-33(31(38-40(22)3)21-47-25-16-17-30(37(44)45)24(19-25)20-41)29-13-7-12-27-28(35(36(42)43)39(2)34(27)29)14-8-18-46-32-15-6-10-23-9-4-5-11-26(23)32/h4-7,9-13,15-17,19-20,44-45H,8,14,18,21H2,1-3H3,(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 | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of FAM labelled Bid-BH3 binding to N-terminal GST-tagged human recombinant MCL1 expressed in Escherichia coli BL2(DE3) after 60 mins by TR... |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM203870
(7-(3-((3-Acetyl-4-boronophenoxy)methyl)-1,5-dimeth...)Show SMILES CC(=O)c1cc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c([nH]c23)C(O)=O)ccc1B(O)O |(-13.02,-2.49,;-11.53,-2.88,;-12.16,-4.44,;-10.2,-2.11,;-8.87,-2.88,;-7.53,-2.11,;-6.2,-2.88,;-5.11,-1.8,;-3.78,-2.57,;-3.3,-4.03,;-1.76,-4.03,;-.67,-5.12,;-1.28,-2.57,;.05,-1.8,;-2.53,-1.66,;-2.48,-.6,;-3.81,.17,;-3.81,1.71,;-2.48,2.48,;-1.14,1.71,;.32,2.18,;-.08,3.67,;1.01,4.76,;.62,6.24,;1.7,7.33,;1.31,8.82,;-.03,9.59,;-.03,11.13,;1.31,11.9,;2.64,11.13,;3.97,11.9,;5.31,11.13,;5.31,9.59,;3.97,8.82,;2.64,9.59,;1.23,.94,;.32,-.31,;-1.14,.17,;2.77,.94,;3.86,-.15,;3.86,2.02,;-7.53,-.57,;-8.87,.2,;-10.2,-.57,;-11.29,.51,;-10.89,2,;-12.78,.91,)| Show InChI InChI=1S/C36H34BN3O7/c1-21-33(31(39-40(21)3)20-47-24-16-17-30(37(44)45)29(19-24)22(2)41)28-13-7-12-26-27(35(36(42)43)38-34(26)28)14-8-18-46-32-15-6-10-23-9-4-5-11-25(23)32/h4-7,9-13,15-17,19,38,44-45H,8,14,18,20H2,1-3H3,(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 | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of FAM labelled Bid-BH3 binding to N-terminal GST-tagged human recombinant MCL1 expressed in Escherichia coli BL2(DE3) after 60 mins by TR... |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM203876
(Mcl-1 inhibitor 12)Show SMILES CCc1nn(C)c(CC)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12 |(-6.2,-2.88,;-5.11,-1.8,;-3.78,-2.57,;-3.3,-4.03,;-1.76,-4.03,;-.67,-5.12,;-1.28,-2.57,;-.02,-2.6,;.3,-4.24,;-2.53,-1.66,;-2.48,-.6,;-3.81,.17,;-3.81,1.71,;-2.48,2.48,;-1.14,1.71,;.32,2.18,;-.08,3.67,;1.01,4.76,;.62,6.24,;1.7,7.33,;1.31,8.82,;-.03,9.59,;-.03,11.13,;1.31,11.9,;2.64,11.13,;3.97,11.9,;5.31,11.13,;5.31,9.59,;3.97,8.82,;2.64,9.59,;1.23,.94,;2.77,.94,;3.86,-.15,;3.86,2.02,;.32,-.31,;1.22,-1.52,;2.76,-1.52,;3.16,-3.01,;1.82,-3.78,;1.82,-5.32,;3.16,-6.09,;4.49,-5.32,;4.49,-3.78,;-1.14,.17,)| Show InChI InChI=1S/C36H42N4O4/c1-4-30-33(31(5-2)38(3)37-30)29-15-9-14-27-28(16-10-22-44-32-17-8-12-25-11-6-7-13-26(25)32)35(36(41)42)40(34(27)29)19-18-39-20-23-43-24-21-39/h6-9,11-15,17H,4-5,10,16,18-24H2,1-3H3,(H,41,42) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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 |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of FAM labelled Bid-BH3 binding to N-terminal GST-tagged human recombinant MCL1 expressed in Escherichia coli BL2(DE3) after 60 mins by TR... |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM203871
(7-(3-((3-formylphenoxy)methyl)-1,5-dimethyl-1H-pyr...)Show SMILES Cc1c(c(COc2cccc(C=O)c2)nn1C)-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O |(.05,-1.8,;-1.28,-2.57,;-2.53,-1.66,;-3.78,-2.57,;-5.11,-1.8,;-6.2,-2.88,;-7.53,-2.11,;-7.53,-.57,;-8.87,.2,;-10.2,-.57,;-10.2,-2.11,;-11.53,-2.88,;-10.76,-4.22,;-8.87,-2.88,;-3.3,-4.03,;-1.76,-4.03,;-.67,-5.12,;-2.48,-.6,;-3.81,.17,;-3.81,1.71,;-2.48,2.48,;-1.14,1.71,;.32,2.18,;-.08,3.67,;1.01,4.76,;.62,6.24,;1.7,7.33,;1.31,8.82,;-.03,9.59,;-.03,11.13,;1.31,11.9,;2.64,11.13,;3.97,11.9,;5.31,11.13,;5.31,9.59,;3.97,8.82,;2.64,9.59,;1.23,.94,;.32,-.31,;-1.14,.17,;2.77,.94,;3.86,-.15,;3.86,2.02,)| Show InChI InChI=1S/C35H31N3O5/c1-22-32(30(37-38(22)2)21-43-25-12-5-9-23(19-25)20-39)29-15-7-14-27-28(34(35(40)41)36-33(27)29)16-8-18-42-31-17-6-11-24-10-3-4-13-26(24)31/h3-7,9-15,17,19-20,36H,8,16,18,21H2,1-2H3,(H,40,41) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of FAM labelled Bid-BH3 binding to N-terminal GST-tagged human recombinant MCL1 expressed in Escherichia coli BL2(DE3) after 60 mins by TR... |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50303987
(CHEMBL4163417)Show SMILES Cc1c(c(COc2ccc(cc2)B(O)O)nn1C)-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O |(37.85,-60.07,;36.38,-60.54,;35.13,-59.63,;33.89,-60.54,;32.56,-59.77,;31.23,-60.55,;29.89,-59.78,;28.55,-60.55,;27.22,-59.78,;27.22,-58.23,;28.55,-57.46,;29.88,-58.23,;25.89,-57.46,;25.89,-55.92,;24.55,-58.24,;34.36,-62.01,;35.9,-62.01,;36.81,-63.25,;35.13,-58.1,;33.8,-57.33,;33.79,-55.8,;35.12,-55.02,;36.46,-55.79,;37.92,-55.31,;37.9,-53.77,;39.23,-52.99,;39.22,-51.45,;40.54,-50.67,;40.53,-49.13,;39.19,-48.37,;39.17,-46.84,;40.51,-46.05,;41.85,-46.81,;43.16,-46.03,;44.5,-46.78,;44.52,-48.32,;43.19,-49.1,;41.86,-48.35,;38.82,-56.55,;37.92,-57.79,;36.46,-57.32,;40.36,-56.54,;41.13,-57.88,;41.13,-55.21,)| Show InChI InChI=1S/C34H32BN3O6/c1-21-31(29(37-38(21)2)20-44-24-17-15-23(16-18-24)35(41)42)28-12-6-11-26-27(33(34(39)40)36-32(26)28)13-7-19-43-30-14-5-9-22-8-3-4-10-25(22)30/h3-6,8-12,14-18,36,41-42H,7,13,19-20H2,1-2H3,(H,39,40) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 162 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of FAM labelled Bid-BH3 binding to N-terminal GST-tagged human recombinant MCL1 expressed in Escherichia coli BL2(DE3) after 60 mins by TR... |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM203872
(7-(3-((3-Acetylphenoxy)methyl)-1,5-dimethyl-1H-pyr...)Show SMILES CC(=O)c1cccc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c([nH]c23)C(O)=O)c1 |(-12.87,-2.11,;-11.53,-2.88,;-12.01,-4.36,;-10.2,-2.11,;-10.2,-.57,;-8.87,.2,;-7.53,-.57,;-7.53,-2.11,;-6.2,-2.88,;-5.11,-1.8,;-3.78,-2.57,;-3.3,-4.03,;-1.76,-4.03,;-.67,-5.12,;-1.28,-2.57,;.05,-1.8,;-2.53,-1.66,;-2.48,-.6,;-3.81,.17,;-3.81,1.71,;-2.48,2.48,;-1.14,1.71,;.32,2.18,;-.08,3.67,;1.01,4.76,;.62,6.24,;1.7,7.33,;1.31,8.82,;-.03,9.59,;-.03,11.13,;1.31,11.9,;2.64,11.13,;3.97,11.9,;5.31,11.13,;5.31,9.59,;3.97,8.82,;2.64,9.59,;1.23,.94,;.32,-.31,;-1.14,.17,;2.77,.94,;3.86,-.15,;3.86,2.02,;-8.87,-2.88,)| Show InChI InChI=1S/C36H33N3O5/c1-22-33(31(38-39(22)3)21-44-26-13-6-12-25(20-26)23(2)40)30-16-8-15-28-29(35(36(41)42)37-34(28)30)17-9-19-43-32-18-7-11-24-10-4-5-14-27(24)32/h4-8,10-16,18,20,37H,9,17,19,21H2,1-3H3,(H,41,42) | PDB
MMDB
NCI pathway
KEGG
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| n/a | n/a | 237 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of [125I]CCK-33 binding to guinea pig brain(cortex) cholecystokinin receptor |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM203874
(Mcl-1 inhibitor 10)Show SMILES Cc1c(c(COc2ccccc2)nn1C)-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O |(.05,-1.8,;-1.28,-2.57,;-2.53,-1.66,;-3.78,-2.57,;-5.11,-1.8,;-6.2,-2.88,;-7.53,-2.11,;-7.53,-.57,;-8.87,.2,;-10.2,-.57,;-10.2,-2.11,;-8.87,-2.88,;-3.3,-4.03,;-1.76,-4.03,;-.67,-5.12,;-2.48,-.6,;-3.81,.17,;-3.81,1.71,;-2.48,2.48,;-1.14,1.71,;.32,2.18,;-.08,3.67,;1.01,4.76,;.62,6.24,;1.7,7.33,;1.31,8.82,;-.03,9.59,;-.03,11.13,;1.31,11.9,;2.64,11.13,;3.97,11.9,;5.31,11.13,;5.31,9.59,;3.97,8.82,;2.64,9.59,;1.23,.94,;.32,-.31,;-1.14,.17,;2.77,.94,;3.86,-.15,;3.86,2.02,)| Show InChI InChI=1S/C34H31N3O4/c1-22-31(29(36-37(22)2)21-41-24-13-4-3-5-14-24)28-17-9-16-26-27(33(34(38)39)35-32(26)28)18-10-20-40-30-19-8-12-23-11-6-7-15-25(23)30/h3-9,11-17,19,35H,10,18,20-21H2,1-2H3,(H,38,39) | PDB
MMDB
NCI pathway
KEGG
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antibodypedia
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| n/a | n/a | 383 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of FAM labelled Bid-BH3 binding to N-terminal GST-tagged human recombinant MCL1 expressed in Escherichia coli BL2(DE3) after 60 mins by TR... |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50376902
(CHEMBL408194)Show SMILES COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 |c:4,t:2| Show InChI InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21-22H,1-3H3/b19-10- | PDB
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Similars
| Article
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| n/a | n/a | 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 (unknown origin) by fluorescence polarization assay |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50376902
(CHEMBL408194)Show SMILES COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 |c:4,t:2| Show InChI InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21-22H,1-3H3/b19-10- | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of Mcl-1 (unknown origin) by fluorescence polarization assay |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50376902
(CHEMBL408194)Show SMILES COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 |c:4,t:2| Show InChI InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21-22H,1-3H3/b19-10- | PDB
MMDB
NCI pathway
Reactome pathway
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CHEMBL
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PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of monkey plasma renin activity |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50013890
(CHEMBL3265288)Show InChI InChI=1S/C17H21N3O3S/c1-11-10-24-17(19-13-5-3-2-4-6-13)20(11)18-9-12-7-8-14(21)16(23)15(12)22/h7-10,13,21-23H,2-6H2,1H3/b18-9+,19-17- | PDB
MMDB
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CHEMBL
PC cid
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| Article
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| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FITC tagged MCL1 SAHBA binding to MCL1 deltaNdeltaC (unknown origin) expressed in Escherichia coli BL21 (DE3) by fluorescen... |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50303762
(CHEMBL3393633)Show SMILES OC(=O)CSc1ccc(C(=O)c2cc(Cl)c(Cl)n2-c2c(Cl)c(Cl)[nH]c2C(=O)c2ccc(SCC(O)=O)cc2O)c(O)c1 |(-5.34,2.77,;-5.34,1.53,;-6.41,.92,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;1.42,-3.96,;1.89,-5.43,;1.16,-6.42,;3.43,-5.43,;4.15,-6.43,;3.91,-3.97,;5.37,-3.49,;5.94,-2.08,;5.29,-1.03,;7.47,-2.2,;8.28,-1.27,;7.83,-3.7,;6.52,-4.5,;6.38,-6.04,;5.27,-6.56,;7.64,-6.92,;9.04,-6.27,;10.3,-7.15,;10.17,-8.68,;11.43,-9.57,;11.3,-11.1,;12.56,-11.99,;13.67,-11.47,;12.45,-13.21,;8.77,-9.34,;7.51,-8.45,;6.4,-8.98,;1.33,.77,;2.4,1.39,;,1.54,)| Show InChI InChI=1S/C26H16Cl4N2O8S2/c27-14-7-15(23(39)12-3-1-10(5-16(12)33)41-8-18(35)36)32(26(14)30)22-20(28)25(29)31-21(22)24(40)13-4-2-11(6-17(13)34)42-9-19(37)38/h1-7,31,33-34H,8-9H2,(H,35,36)(H,37,38) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
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| PC cid
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UniChem
Similars
| Article
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| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of biotin labelled Bid-BH3 binding to GST-tagged MCL1 (unknown origin) preincubated for 15 mins followed by biotin labelled Bid-BH3 additi... |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
(Mus musculus (Mouse)) | BDBM50266967
(CHEBI:66678 | CHEMBL3393621)Show SMILES Oc1ccccc1C(=O)c1[nH]c(Cl)c(Cl)c1-n1c(Cl)c(Cl)cc1C(=O)c1ccccc1O |(6.4,-8.98,;7.51,-8.45,;8.77,-9.34,;10.17,-8.68,;10.3,-7.15,;9.04,-6.27,;7.64,-6.92,;6.38,-6.04,;5.27,-6.56,;6.52,-4.5,;7.83,-3.7,;7.47,-2.2,;8.28,-1.27,;5.94,-2.08,;5.29,-1.03,;5.37,-3.49,;3.91,-3.97,;3.43,-5.43,;4.15,-6.43,;1.89,-5.43,;1.16,-6.42,;1.42,-3.96,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;2.4,1.39,)| Show InChI InChI=1S/C22H12Cl4N2O4/c23-12-9-13(19(31)10-5-1-3-7-14(10)29)28(22(12)26)18-16(24)21(25)27-17(18)20(32)11-6-2-4-8-15(11)30/h1-9,27,29-30H | PDB
MMDB
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| n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against monkey plasma renin |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50266967
(CHEBI:66678 | CHEMBL3393621)Show SMILES Oc1ccccc1C(=O)c1[nH]c(Cl)c(Cl)c1-n1c(Cl)c(Cl)cc1C(=O)c1ccccc1O |(6.4,-8.98,;7.51,-8.45,;8.77,-9.34,;10.17,-8.68,;10.3,-7.15,;9.04,-6.27,;7.64,-6.92,;6.38,-6.04,;5.27,-6.56,;6.52,-4.5,;7.83,-3.7,;7.47,-2.2,;8.28,-1.27,;5.94,-2.08,;5.29,-1.03,;5.37,-3.49,;3.91,-3.97,;3.43,-5.43,;4.15,-6.43,;1.89,-5.43,;1.16,-6.42,;1.42,-3.96,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;2.4,1.39,)| Show InChI InChI=1S/C22H12Cl4N2O4/c23-12-9-13(19(31)10-5-1-3-7-14(10)29)28(22(12)26)18-16(24)21(25)27-17(18)20(32)11-6-2-4-8-15(11)30/h1-9,27,29-30H | PDB
MMDB
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Reactome pathway
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| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of biotin labelled Bid-BH3 binding to C-terminal GST-tagged human BCL-XL transmembrane domain expressed in Escherichia coli BL21 (DE3) pre... |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50303762
(CHEMBL3393633)Show SMILES OC(=O)CSc1ccc(C(=O)c2cc(Cl)c(Cl)n2-c2c(Cl)c(Cl)[nH]c2C(=O)c2ccc(SCC(O)=O)cc2O)c(O)c1 |(-5.34,2.77,;-5.34,1.53,;-6.41,.92,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;1.42,-3.96,;1.89,-5.43,;1.16,-6.42,;3.43,-5.43,;4.15,-6.43,;3.91,-3.97,;5.37,-3.49,;5.94,-2.08,;5.29,-1.03,;7.47,-2.2,;8.28,-1.27,;7.83,-3.7,;6.52,-4.5,;6.38,-6.04,;5.27,-6.56,;7.64,-6.92,;9.04,-6.27,;10.3,-7.15,;10.17,-8.68,;11.43,-9.57,;11.3,-11.1,;12.56,-11.99,;13.67,-11.47,;12.45,-13.21,;8.77,-9.34,;7.51,-8.45,;6.4,-8.98,;1.33,.77,;2.4,1.39,;,1.54,)| Show InChI InChI=1S/C26H16Cl4N2O8S2/c27-14-7-15(23(39)12-3-1-10(5-16(12)33)41-8-18(35)36)32(26(14)30)22-20(28)25(29)31-21(22)24(40)13-4-2-11(6-17(13)34)42-9-19(37)38/h1-7,31,33-34H,8-9H2,(H,35,36)(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Inhibition of biotin labelled Bid-BH3 binding to GST-tagged BCL-XL (unknown origin) preincubated for 15 mins followed by biotin labelled Bid-BH3 addi... |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50303802
(CHEMBL4169380)Show SMILES OC(=O)CCNC1=C(C#N)C(=O)c2cccc3c(Sc4ccc(Br)cc4)ccc1c23 |c:6| Show InChI InChI=1S/C23H15BrN2O3S/c24-13-4-6-14(7-5-13)30-19-9-8-16-21-15(19)2-1-3-17(21)23(29)18(12-25)22(16)26-11-10-20(27)28/h1-9,26H,10-11H2,(H,27,28) | 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 | 150 | n/a | n/a | n/a | n/a | n/a |
Hunan Provinc
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against Inosine-5'-monophosphate dehydrogenase, the type of inhibition in not competitive |
Eur J Med Chem 146: 471-482 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.076
BindingDB Entry DOI: 10.7270/Q2ZG6VS2 |
More data for this
Ligand-Target Pair | |
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