Found 26 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
UniProtKB/SwissProt
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Similars
| Article PubMed
| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-2 (unknown origin) by TR-FRET assay |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM21447
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1 | PDB
UniProtKB/SwissProt
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Similars
| Article PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of Bcl-2 (unknown origin) |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50266959
(CHEMBL4085804)Show SMILES CC(C)n1c(C)c(c(c1-c1ccc(Cl)cc1)-c1cc(F)cc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C53H59ClF4N6O7S4/c1-35(2)64-36(3)52(73(4,66)67)50(51(64)37-10-12-39(54)13-11-37)38-30-40(55)32-44(31-38)63-28-26-62(27-29-63)43-16-14-41(15-17-43)60-75(70,71)47-18-19-48(49(33-47)74(68,69)53(56,57)58)59-42(34-72-46-8-6-5-7-9-46)20-23-61-24-21-45(65)22-25-61/h5-19,30-33,35,42,45,59-60,65H,20-29,34H2,1-4H3/t42-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
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| Article PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of Bcl-2 (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50266959
(CHEMBL4085804)Show SMILES CC(C)n1c(C)c(c(c1-c1ccc(Cl)cc1)-c1cc(F)cc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C53H59ClF4N6O7S4/c1-35(2)64-36(3)52(73(4,66)67)50(51(64)37-10-12-39(54)13-11-37)38-30-40(55)32-44(31-38)63-28-26-62(27-29-63)43-16-14-41(15-17-43)60-75(70,71)47-18-19-48(49(33-47)74(68,69)53(56,57)58)59-42(34-72-46-8-6-5-7-9-46)20-23-61-24-21-45(65)22-25-61/h5-19,30-33,35,42,45,59-60,65H,20-29,34H2,1-4H3/t42-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of Bcl-xL (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 2
(Homo sapiens (Human)) | BDBM21447
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of Bcl-w (unknown origin) |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM21447
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of Bcl-xL (unknown origin) |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-xL (unknown origin) by TR-FRET assay |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM31406
(terphenyl scaffold, 14)Show SMILES CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1cccc2ccccc12)-c1ccc(CCC(O)=O)cc1CC(C)C Show InChI InChI=1S/C42H44O5/c1-27(2)20-34-22-29(13-19-41(43)44)12-16-38(34)32-14-17-39(33-15-18-40(47-26-42(45)46)36(25-33)21-28(3)4)35(24-32)23-31-10-7-9-30-8-5-6-11-37(30)31/h5-12,14-18,22,24-25,27-28H,13,19-21,23,26H2,1-4H3,(H,43,44)(H,45,46) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 114 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of fluorescein-labeled 16-mer Bak peptide binding to Bcl-xL (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 245 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-w (unknown origin) by TR-FRET assay |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
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 AffyNet
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KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| >444 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Binding affinity to Mcl-1 (unknown origin) by TR-FRET assay |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Bcl-2-related protein A1
(Homo sapiens (Human)) | BDBM21447
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Binding affinity to Bcl2A1 (unknown origin) |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM21447
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Binding affinity to Mcl-1 (unknown origin) |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030764
(CHEMBL3342187)Show SMILES NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCC\C(=N/Nc4nc5ccccc5s4)c3c2)cc1 Show InChI InChI=1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)/b35-24+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of biotinylated BIM BH3 26-mer peptide binding to GST-tagged Bcl-xL (unknown origin) pre-incubated for 30 mins followed by peptide additio... |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50330250
(5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...)Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of FITC-labeled Bim BH3 binding to GST-tagged Mcl-1 (unknown origin) preincubated for 2 mins followed by FITC-Bim-BH3 addition measured af... |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50330250
(5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...)Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of FITC-labeled Bim BH3 binding to GST-tagged Bcl-2 (unknown origin) preincubated for 2 mins followed by FITC-Bim-BH3 addition measured af... |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50330250
(5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...)Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of FITC-labeled Bak-BH3 binding to GST-tagged Bcl-xL (unknown origin) preincubated for 5 mins followed by FITC-Bak-BH3 addition measured a... |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Bcl-2-related protein A1
(Homo sapiens (Human)) | BDBM50330250
(5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...)Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of FITC-labeled Bim BH3 binding to GST-tagged Bcl2A1 (unknown origin) preincubated for 2 mins followed by FITC-Bim-BH3 addition measured a... |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50266958
(CHEMBL4077940)Show SMILES CC(C)Oc1cc(ccc1N)C(=O)Nc1ccc(nc1OC(C)C)C(=O)Nc1ccc(cc1OC(C)C)C(O)=O Show InChI InChI=1S/C29H34N4O7/c1-15(2)38-24-13-18(7-9-20(24)30)26(34)32-23-12-11-22(33-28(23)40-17(5)6)27(35)31-21-10-8-19(29(36)37)14-25(21)39-16(3)4/h7-17H,30H2,1-6H3,(H,31,35)(H,32,34)(H,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 394 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of FITC-labeled Bak-BH3 peptide binding to Bcl-xL (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50266957
(CHEMBL2070024)Show SMILES [NH4+].[NH4+].CC(C)Cc1cc(ccc1OCC([O-])=O)-c1ccc(cc1Cc1ccccc1)-c1ccc(CCC([O-])=O)cc1CC(C)C Show InChI InChI=1S/C38H42O5/c1-25(2)18-31-21-28(11-17-37(39)40)10-14-34(31)29-12-15-35(32(22-29)20-27-8-6-5-7-9-27)30-13-16-36(43-24-38(41)42)33(23-30)19-26(3)4/h5-10,12-16,21-23,25-26H,11,17-20,24H2,1-4H3,(H,39,40)(H,41,42)/p-2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of Bak BH3 peptide binding to GST-tagged human Bcl-xL after 3 hrs by Western blotting-based GST pull-down assay |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM380478
(US9926306, ID 183-84)Show SMILES Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C17H21N3O3S/c1-11-10-24-17(19-13-5-3-2-4-6-13)20(11)18-9-12-7-14(21)16(23)15(22)8-12/h7-10,13,21-23H,2-6H2,1H3/b18-9+,19-17- | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of FITC-BID BH3 peptide binding to recombinant GST-tagged N-terminal/C-terminal truncated Mcl-1 (unknown origin) expressed in Escherichia ... |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50266957
(CHEMBL2070024)Show SMILES [NH4+].[NH4+].CC(C)Cc1cc(ccc1OCC([O-])=O)-c1ccc(cc1Cc1ccccc1)-c1ccc(CCC([O-])=O)cc1CC(C)C Show InChI InChI=1S/C38H42O5/c1-25(2)18-31-21-28(11-17-37(39)40)10-14-34(31)29-12-15-35(32(22-29)20-27-8-6-5-7-9-27)30-13-16-36(43-24-38(41)42)33(23-30)19-26(3)4/h5-10,12-16,21-23,25-26H,11,17-20,24H2,1-4H3,(H,39,40)(H,41,42)/p-2 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of Bim BH3 peptide binding to GST-tagged human Mcl-1 after 3 hrs by Western blotting-based GST pull-down assay |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50266958
(CHEMBL4077940)Show SMILES CC(C)Oc1cc(ccc1N)C(=O)Nc1ccc(nc1OC(C)C)C(=O)Nc1ccc(cc1OC(C)C)C(O)=O Show InChI InChI=1S/C29H34N4O7/c1-15(2)38-24-13-18(7-9-20(24)30)26(34)32-23-12-11-22(33-28(23)40-17(5)6)27(35)31-21-10-8-19(29(36)37)14-25(21)39-16(3)4/h7-17H,30H2,1-6H3,(H,31,35)(H,32,34)(H,36,37) | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of FITC-labeled Bak-BH3 peptide binding to Mcl-1 (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
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
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of biotinylated Bim BH3 peptide binding to GST-tagged mouse Mcl-1 expressed in Escherichia coli BL21 (DE3) pre-incubated for 1 hr followed... |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM380478
(US9926306, ID 183-84)Show SMILES Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C17H21N3O3S/c1-11-10-24-17(19-13-5-3-2-4-6-13)20(11)18-9-12-7-14(21)16(23)15(22)8-12/h7-10,13,21-23H,2-6H2,1H3/b18-9+,19-17- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of FITC-BID BH3 peptide binding to recombinant GST-tagged C-terminal truncated Bcl-xL (unknown origin) expressed in Escherichia coli BL21 ... |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50336576
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of FAM-Bid binding to Mcl-1 (unknown origin) after 30 mins by fluorescence polarization assay |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50336576
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of FAM-Bid binding to Bcl-2 (unknown origin) after 30 mins by fluorescence polarization assay |
J Med Chem 60: 821-838 (2017)
Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP |
More data for this Ligand-Target Pair | |