Found 44 hits with Last Name = 'fiorilla' and Initial = 'c' 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)) | BDBM50426420
(CHEMBL2322027)Show SMILES CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N[C+]1[N-]S(=O)(=O)c2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C42H44ClN7O6S3/c1-47(2)21-20-33(29-57-35-9-4-3-5-10-35)44-39-19-17-36(27-40(39)50(51)52)58(53,54)45-42-38-18-16-34(26-41(38)59(55,56)46-42)49-24-22-48(23-25-49)28-31-8-6-7-11-37(31)30-12-14-32(43)15-13-30/h3-19,26-27,33,44-45H,20-25,28-29H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426417
(CHEMBL2326745)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H49ClF3N7O4S3/c1-53(2)22-18-34(29-60-36-9-4-3-5-10-36)51-40-17-16-37(26-42(40)61(56,57)44(46,47)48)62(58,59)52-43-39-21-25-55(28-41(39)49-30-50-43)35-19-23-54(24-20-35)27-32-8-6-7-11-38(32)31-12-14-33(45)15-13-31/h3-17,26,30,34-35,51H,18-25,27-29H2,1-2H3,(H,49,50,52)/t34-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
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
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50426413
(CHEMBL2322021)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(Cl)nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48Cl2F3N7O4S3/c1-54(2)22-18-33(29-61-35-9-4-3-5-10-35)50-39-17-16-36(26-41(39)62(57,58)44(47,48)49)63(59,60)53-42-38-21-25-56(28-40(38)51-43(46)52-42)34-19-23-55(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(45)15-13-30/h3-17,26,33-34,50H,18-25,27-29H2,1-2H3,(H,51,52,53)/t33-/m1/s1 | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-xL/BAK (unknown origin) interaction |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50426414
(CHEMBL2322020)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2C(=O)N(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClF4N7O5S3/c1-54(2)20-16-33(27-62-35-6-4-3-5-7-35)52-39-15-13-36(25-40(39)63(58,59)44(47,48)49)64(60,61)53-42-38-19-23-56(43(57)41(38)50-28-51-42)34-17-21-55(22-18-34)26-30-24-32(46)12-14-37(30)29-8-10-31(45)11-9-29/h3-15,24-25,28,33-34,52H,16-23,26-27H2,1-2H3,(H,50,51,53)/t33-/m1/s1 | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-xL/BAK (unknown origin) interaction |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50426417
(CHEMBL2326745)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H49ClF3N7O4S3/c1-53(2)22-18-34(29-60-36-9-4-3-5-10-36)51-40-17-16-37(26-42(40)61(56,57)44(46,47)48)62(58,59)52-43-39-21-25-55(28-41(39)49-30-50-43)35-19-23-54(24-20-35)27-32-8-6-7-11-38(32)31-12-14-33(45)15-13-31/h3-17,26,30,34-35,51H,18-25,27-29H2,1-2H3,(H,49,50,52)/t34-/m1/s1 | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-xL/BAK (unknown origin) interaction |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426421
(CHEMBL2322026)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1nnc2cc(cnn12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C40H43ClN10O4S2/c1-47(2)19-18-32(28-56-34-9-4-3-5-10-34)43-37-17-16-35(25-38(37)51(52)53)57(54,55)46-40-45-44-39-24-33(26-42-50(39)40)49-22-20-48(21-23-49)27-30-8-6-7-11-36(30)29-12-14-31(41)15-13-29/h3-17,24-26,32,43H,18-23,27-28H2,1-2H3,(H,45,46)/t32-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426418
(CHEMBL2326744)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nnc2CCN(CCn12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C43H50ClF3N8O4S3/c1-52(2)22-18-34(30-60-36-9-4-3-5-10-36)48-39-17-16-37(28-40(39)61(56,57)43(45,46)47)62(58,59)51-42-50-49-41-21-25-54(26-27-55(41)42)35-19-23-53(24-20-35)29-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-17,28,34-35,48H,18-27,29-30H2,1-2H3,(H,50,51)/t34-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426413
(CHEMBL2322021)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(Cl)nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48Cl2F3N7O4S3/c1-54(2)22-18-33(29-61-35-9-4-3-5-10-35)50-39-17-16-36(26-41(39)62(57,58)44(47,48)49)63(59,60)53-42-38-21-25-56(28-40(38)51-43(46)52-42)34-19-23-55(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(45)15-13-30/h3-17,26,33-34,50H,18-25,27-29H2,1-2H3,(H,51,52,53)/t33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426416
(CHEMBL2326746)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48ClF4N7O4S3/c1-54(2)20-16-34(28-61-36-6-4-3-5-7-36)52-40-15-13-37(25-42(40)62(57,58)44(47,48)49)63(59,60)53-43-39-19-23-56(27-41(39)50-29-51-43)35-17-21-55(22-18-35)26-31-24-33(46)12-14-38(31)30-8-10-32(45)11-9-30/h3-15,24-25,29,34-35,52H,16-23,26-28H2,1-2H3,(H,50,51,53)/t34-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426415
(CHEMBL2326747)Show SMILES CC(N1CCC(CC1)N1CCc2c(C1)ncnc2NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H51ClF3N7O4S3/c1-31(38-11-7-8-12-39(38)32-13-15-33(46)16-14-32)55-24-20-35(21-25-55)56-26-22-40-42(28-56)50-30-51-44(40)53-63(59,60)37-17-18-41(43(27-37)62(57,58)45(47,48)49)52-34(19-23-54(2)3)29-61-36-9-5-4-6-10-36/h4-18,27,30-31,34-35,52H,19-26,28-29H2,1-3H3,(H,50,51,53)/t31?,34-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426412
(CHEMBL2322022)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1)C(F)(F)F |r| Show InChI InChI=1S/C45H48ClF6N7O4S3/c1-57(2)22-18-33(29-64-35-9-4-3-5-10-35)53-39-17-16-36(26-41(39)65(60,61)45(50,51)52)66(62,63)56-42-38-21-25-59(28-40(38)54-43(55-42)44(47,48)49)34-19-23-58(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(46)15-13-30/h3-17,26,33-34,53H,18-25,27-29H2,1-2H3,(H,54,55,56)/t33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50426412
(CHEMBL2322022)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1)C(F)(F)F |r| Show InChI InChI=1S/C45H48ClF6N7O4S3/c1-57(2)22-18-33(29-64-35-9-4-3-5-10-35)53-39-17-16-36(26-41(39)65(60,61)45(50,51)52)66(62,63)56-42-38-21-25-59(28-40(38)54-43(55-42)44(47,48)49)34-19-23-58(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(46)15-13-30/h3-17,26,33-34,53H,18-25,27-29H2,1-2H3,(H,54,55,56)/t33-/m1/s1 | 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 | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-xL/BAK (unknown origin) interaction |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426423
(CHEMBL2322024)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1cccc2cc(cnc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClN7O4S2/c1-49(2)22-21-36(31-57-38-11-4-3-5-12-38)47-41-20-19-39(28-43(41)52(53)54)58(55,56)48-42-14-8-10-33-27-37(29-46-44(33)42)51-25-23-50(24-26-51)30-34-9-6-7-13-40(34)32-15-17-35(45)18-16-32/h3-20,27-29,36,47-48H,21-26,30-31H2,1-2H3/t36-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50426416
(CHEMBL2326746)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48ClF4N7O4S3/c1-54(2)20-16-34(28-61-36-6-4-3-5-7-36)52-40-15-13-37(25-42(40)62(57,58)44(47,48)49)63(59,60)53-43-39-19-23-56(27-41(39)50-29-51-43)35-17-21-55(22-18-35)26-31-24-33(46)12-14-38(31)30-8-10-32(45)11-9-30/h3-15,24-25,29,34-35,52H,16-23,26-28H2,1-2H3,(H,50,51,53)/t34-/m1/s1 | 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 | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-xL/BAK (unknown origin) interaction |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50426415
(CHEMBL2326747)Show SMILES CC(N1CCC(CC1)N1CCc2c(C1)ncnc2NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H51ClF3N7O4S3/c1-31(38-11-7-8-12-39(38)32-13-15-33(46)16-14-32)55-24-20-35(21-25-55)56-26-22-40-42(28-56)50-30-51-44(40)53-63(59,60)37-17-18-41(43(27-37)62(57,58)45(47,48)49)52-34(19-23-54(2)3)29-61-36-9-5-4-6-10-36/h4-18,27,30-31,34-35,52H,19-26,28-29H2,1-3H3,(H,50,51,53)/t31?,34-/m1/s1 | 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 | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-xL/BAK (unknown origin) interaction |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426414
(CHEMBL2322020)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2C(=O)N(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClF4N7O5S3/c1-54(2)20-16-33(27-62-35-6-4-3-5-7-35)52-39-15-13-36(25-40(39)63(58,59)44(47,48)49)64(60,61)53-42-38-19-23-56(43(57)41(38)50-28-51-42)34-17-21-55(22-18-34)26-30-24-32(46)12-14-37(30)29-8-10-31(45)11-9-29/h3-15,24-25,28,33-34,52H,16-23,26-27H2,1-2H3,(H,50,51,53)/t33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 142 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426419
(CHEMBL2322029)Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)Nc1ncnc2CN(Cc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C45H49ClF3N7O5S3/c46-34-12-10-32(11-13-34)39-9-5-4-6-33(39)27-55-20-17-36(18-21-55)56-28-40-42(29-56)50-31-51-44(40)53-64(59,60)38-14-15-41(43(26-38)63(57,58)45(47,48)49)52-35(16-19-54-22-24-61-25-23-54)30-62-37-7-2-1-3-8-37/h1-15,26,31,35-36,52H,16-25,27-30H2,(H,50,51,53)/t35-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50316411
(CHEMBL1094578 | gymnochrome F)Show SMILES CCC[C@@H](O)Cc1c(Br)c(O)c2c3c1c1c(C[C@H](O)CCC)c(Br)c(O)c4c1c1c3c3c(c(O)c(Br)c(O)c3c2=O)c2c(O)c(Br)c(O)c(c12)c4=O |r| Show InChI InChI=1S/C38H28Br4O10/c1-3-5-9(43)7-11-13-14-12(8-10(44)6-4-2)28(40)36(50)24-16(14)18-17-15(13)23(35(49)27(11)39)31(45)25-19(17)21(33(47)29(41)37(25)51)22-20(18)26(32(24)46)38(52)30(42)34(22)48/h9-10,43-44,47-52H,3-8H2,1-2H3/t9-,10-/m1/s1 | 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 | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harbor Branch Oceanographic Institute at Florida Atlantic University
Curated by ChEMBL
| Assay Description
Inhibition of MCL1 binding to Bak by FRET assay |
J Nat Prod 73: 712-5 (2010)
Article DOI: 10.1021/np900526y
BindingDB Entry DOI: 10.7270/Q2VQ32TB |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426424
(CHEMBL2322023)Show SMILES [O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)Nc1cccc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C47H49ClN6O5S2/c48-38-15-13-35(14-16-38)43-11-5-4-7-37(43)33-52-23-25-53(26-24-52)40-17-19-44-36(31-40)8-6-12-45(44)50-61(57,58)42-18-20-46(47(32-42)54(55)56)49-39(21-22-51-27-29-59-30-28-51)34-60-41-9-2-1-3-10-41/h1-20,31-32,39,49-50H,21-30,33-34H2/t39-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50232491
(3,5-dibromo-2-(2',4'-dibromophenoxy)phenol | 3,5-d...)Show InChI InChI=1S/C12H6Br4O2/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5,17H | 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 | 4.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Bak binding to Mcl-1 by FRET assay |
J Nat Prod 72: 443-9 (2009)
Article DOI: 10.1021/np800737z
BindingDB Entry DOI: 10.7270/Q2XW4NMD |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426422
(CHEMBL2322025)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1nn(C)c2nc(ncc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C41H45ClN10O4S2/c1-48(2)20-19-32(28-57-33-10-5-4-6-11-33)44-37-18-17-34(25-38(37)52(53)54)58(55,56)47-39-36-26-43-41(45-40(36)49(3)46-39)51-23-21-50(22-24-51)27-30-9-7-8-12-35(30)29-13-15-31(42)16-14-29/h4-18,25-26,32,44H,19-24,27-28H2,1-3H3,(H,46,47)/t32-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50316410
(CHEMBL1094577 | gymnochrome E)Show SMILES CCC[C@@H](O)Cc1c(Br)c(O)c2c3c1c1c(C[C@H](C)O)c(Br)c(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O |r| Show InChI InChI=1S/C36H26Br2O10/c1-3-4-10(40)6-12-18-17-11(5-9(2)39)31(37)35(47)29-23(17)27-25-19(13(41)7-15(43)21(25)33(29)45)20-14(42)8-16(44)22-26(20)28(27)24(18)30(34(22)46)36(48)32(12)38/h7-10,39-44,47-48H,3-6H2,1-2H3/t9-,10+/m0/s1 | 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 | 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harbor Branch Oceanographic Institute at Florida Atlantic University
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC1 assessed as [3H]acetate release after 90 mins by scintillation counting |
J Nat Prod 73: 712-5 (2010)
Article DOI: 10.1021/np900526y
BindingDB Entry DOI: 10.7270/Q2VQ32TB |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50316814
(CHEMBL1097104 | cryptosphaerolide)Show SMILES CCC(C)CC(C)CC(O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C[C@H]3C(=C)CO[C@@]3(O)[C@H]3O[C@@]123 |r| Show InChI InChI=1S/C26H42O7/c1-7-15(2)10-16(3)11-24(29,14-27)22(28)32-20-9-8-18(5)23(6)12-19-17(4)13-31-26(19,30)21-25(20,23)33-21/h15-16,18-21,27,29-30H,4,7-14H2,1-3,5-6H3/t15?,16?,18-,19-,20+,21-,23+,24?,25+,26+/m0/s1 | 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 | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Diego
Curated by ChEMBL
| Assay Description
Inhibition of Mcl1 protein by Mcl1/Bak fluorescence resonance assay |
J Nat Prod 73: 998-1001 (2010)
Article DOI: 10.1021/np1000889
BindingDB Entry DOI: 10.7270/Q2RR1ZCX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50292443
(3,4,5-tribromo-2-(2', 4'-dibromo-phenoxy)phenol | ...)Show InChI InChI=1S/C12H5Br5O2/c13-5-1-2-9(6(14)3-5)19-12-8(18)4-7(15)10(16)11(12)17/h1-4,18H | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Bak binding to Mcl-1 by FRET assay |
J Nat Prod 72: 443-9 (2009)
Article DOI: 10.1021/np800737z
BindingDB Entry DOI: 10.7270/Q2XW4NMD |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50316815
((1R,3S,4R,8S,10R,11S,14R)-4-methoxy-10,11-dimethyl...)Show SMILES CCC(C)CC(C)CC(O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C[C@H]3C(=C)CO[C@@]3(OC)[C@H]3O[C@@]123 |r| Show InChI InChI=1S/C27H44O7/c1-8-16(2)11-17(3)12-25(30,15-28)23(29)33-21-10-9-19(5)24(6)13-20-18(4)14-32-27(20,31-7)22-26(21,24)34-22/h16-17,19-22,28,30H,4,8-15H2,1-3,5-7H3/t16?,17?,19-,20-,21+,22-,24+,25?,26+,27+/m0/s1 | 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 | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Diego
Curated by ChEMBL
| Assay Description
Inhibition of Mcl1 protein by Mcl1/Bak fluorescence resonance assay |
J Nat Prod 73: 998-1001 (2010)
Article DOI: 10.1021/np1000889
BindingDB Entry DOI: 10.7270/Q2RR1ZCX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50135851
(2,3,4,5-tetrabromo-6-(3,5-dibromo-2-hydroxy-phenox...)Show SMILES Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)c(Br)c(Br)c1Br Show InChI InChI=1S/C12H4Br6O3/c13-3-1-4(14)10(19)5(2-3)21-12-9(18)7(16)6(15)8(17)11(12)20/h1-2,19-20H | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Bak binding to Mcl-1 by FRET assay |
J Nat Prod 72: 443-9 (2009)
Article DOI: 10.1021/np800737z
BindingDB Entry DOI: 10.7270/Q2XW4NMD |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50480591
(CHEMBL374480)Show InChI InChI=1S/C13H7Br5O3/c1-20-13-10(18)6(15)4-8(17)12(13)21-9-3-5(14)2-7(16)11(9)19/h2-4,19H,1H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Bak binding to Mcl-1 by FRET assay |
J Nat Prod 72: 443-9 (2009)
Article DOI: 10.1021/np800737z
BindingDB Entry DOI: 10.7270/Q2XW4NMD |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50480592
(CHEMBL149159)Show InChI InChI=1S/C12H5Br5O3/c13-4-1-6(15)11(19)8(2-4)20-12-7(18)3-5(14)9(16)10(12)17/h1-3,18-19H | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Bak binding to Mcl-1 by FRET assay |
J Nat Prod 72: 443-9 (2009)
Article DOI: 10.1021/np800737z
BindingDB Entry DOI: 10.7270/Q2XW4NMD |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50480589
(CHEMBL558681)Show InChI InChI=1S/C12H5Br5O3/c13-4-1-6(15)10(18)8(2-4)20-12-9(17)5(14)3-7(16)11(12)19/h1-3,18-19H | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Bak binding to Mcl-1 by FRET assay |
J Nat Prod 72: 443-9 (2009)
Article DOI: 10.1021/np800737z
BindingDB Entry DOI: 10.7270/Q2XW4NMD |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50150788
(2,3,5-tribromo-6-(3,5-dibromo-2-hydroxy-phenoxy)-p...)Show InChI InChI=1S/C12H5Br5O3/c13-4-1-6(15)10(18)8(2-4)20-12-7(16)3-5(14)9(17)11(12)19/h1-3,18-19H | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Bak binding to Mcl-1 by FRET assay |
J Nat Prod 72: 443-9 (2009)
Article DOI: 10.1021/np800737z
BindingDB Entry DOI: 10.7270/Q2XW4NMD |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50480593
(CHEMBL572122)Show InChI InChI=1S/C12H5Br5O3/c13-4-1-6(15)11(18)7(2-4)20-8-3-5(14)9(16)10(17)12(8)19/h1-3,18-19H | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Bak binding to Mcl-1 by FRET assay |
J Nat Prod 72: 443-9 (2009)
Article DOI: 10.1021/np800737z
BindingDB Entry DOI: 10.7270/Q2XW4NMD |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50480590
(CHEMBL402539)Show InChI InChI=1S/C12H5Br5O2/c13-5-1-2-9(6(14)3-5)19-12-8(16)4-7(15)10(17)11(12)18/h1-4,18H | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Bak binding to Mcl-1 by FRET assay |
J Nat Prod 72: 443-9 (2009)
Article DOI: 10.1021/np800737z
BindingDB Entry DOI: 10.7270/Q2XW4NMD |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM57619
(2,4-dibromo-6-(2,4-dibromophenoxy)phenol | 2-[2,4-...)Show InChI InChI=1S/C12H6Br4O2/c13-6-1-2-10(8(15)3-6)18-11-5-7(14)4-9(16)12(11)17/h1-5,17H | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of Bak binding to Mcl-1 by FRET assay |
J Nat Prod 72: 443-9 (2009)
Article DOI: 10.1021/np800737z
BindingDB Entry DOI: 10.7270/Q2XW4NMD |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426418
(CHEMBL2326744)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nnc2CCN(CCn12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C43H50ClF3N8O4S3/c1-52(2)22-18-34(30-60-36-9-4-3-5-10-36)48-39-17-16-37(28-40(39)61(56,57)43(45,46)47)62(58,59)51-42-50-49-41-21-25-54(26-27-55(41)42)35-19-23-53(24-20-35)29-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-17,28,34-35,48H,18-27,29-30H2,1-2H3,(H,50,51)/t34-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426414
(CHEMBL2322020)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2C(=O)N(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClF4N7O5S3/c1-54(2)20-16-33(27-62-35-6-4-3-5-7-35)52-39-15-13-36(25-40(39)63(58,59)44(47,48)49)64(60,61)53-42-38-19-23-56(43(57)41(38)50-28-51-42)34-17-21-55(22-18-34)26-30-24-32(46)12-14-37(30)29-8-10-31(45)11-9-29/h3-15,24-25,28,33-34,52H,16-23,26-27H2,1-2H3,(H,50,51,53)/t33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426415
(CHEMBL2326747)Show SMILES CC(N1CCC(CC1)N1CCc2c(C1)ncnc2NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H51ClF3N7O4S3/c1-31(38-11-7-8-12-39(38)32-13-15-33(46)16-14-32)55-24-20-35(21-25-55)56-26-22-40-42(28-56)50-30-51-44(40)53-63(59,60)37-17-18-41(43(27-37)62(57,58)45(47,48)49)52-34(19-23-54(2)3)29-61-36-9-5-4-6-10-36/h4-18,27,30-31,34-35,52H,19-26,28-29H2,1-3H3,(H,50,51,53)/t31?,34-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PubMed
| n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426421
(CHEMBL2322026)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1nnc2cc(cnn12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C40H43ClN10O4S2/c1-47(2)19-18-32(28-56-34-9-4-3-5-10-34)43-37-17-16-35(25-38(37)51(52)53)57(54,55)46-40-45-44-39-24-33(26-42-50(39)40)49-22-20-48(21-23-49)27-30-8-6-7-11-36(30)29-12-14-31(41)15-13-29/h3-17,24-26,32,43H,18-23,27-28H2,1-2H3,(H,45,46)/t32-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426417
(CHEMBL2326745)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H49ClF3N7O4S3/c1-53(2)22-18-34(29-60-36-9-4-3-5-10-36)51-40-17-16-37(26-42(40)61(56,57)44(46,47)48)62(58,59)52-43-39-21-25-55(28-41(39)49-30-50-43)35-19-23-54(24-20-35)27-32-8-6-7-11-38(32)31-12-14-33(45)15-13-31/h3-17,26,30,34-35,51H,18-25,27-29H2,1-2H3,(H,49,50,52)/t34-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426412
(CHEMBL2322022)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1)C(F)(F)F |r| Show InChI InChI=1S/C45H48ClF6N7O4S3/c1-57(2)22-18-33(29-64-35-9-4-3-5-10-35)53-39-17-16-36(26-41(39)65(60,61)45(50,51)52)66(62,63)56-42-38-21-25-59(28-40(38)54-43(55-42)44(47,48)49)34-19-23-58(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(46)15-13-30/h3-17,26,33-34,53H,18-25,27-29H2,1-2H3,(H,54,55,56)/t33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426420
(CHEMBL2322027)Show SMILES CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N[C+]1[N-]S(=O)(=O)c2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C42H44ClN7O6S3/c1-47(2)21-20-33(29-57-35-9-4-3-5-10-35)44-39-19-17-36(27-40(39)50(51)52)58(53,54)45-42-38-18-16-34(26-41(38)59(55,56)46-42)49-24-22-48(23-25-49)28-31-8-6-7-11-37(31)30-12-14-32(43)15-13-30/h3-19,26-27,33,44-45H,20-25,28-29H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426413
(CHEMBL2322021)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(Cl)nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48Cl2F3N7O4S3/c1-54(2)22-18-33(29-61-35-9-4-3-5-10-35)50-39-17-16-36(26-41(39)62(57,58)44(47,48)49)63(59,60)53-42-38-21-25-56(28-40(38)51-43(46)52-42)34-19-23-55(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(45)15-13-30/h3-17,26,33-34,50H,18-25,27-29H2,1-2H3,(H,51,52,53)/t33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PubMed
| n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
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
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PubMed
| n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50426416
(CHEMBL2326746)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48ClF4N7O4S3/c1-54(2)20-16-34(28-61-36-6-4-3-5-7-36)52-40-15-13-37(25-42(40)62(57,58)44(47,48)49)63(59,60)53-43-39-19-23-56(27-41(39)50-29-51-43)35-17-21-55(22-18-35)26-31-24-33(46)12-14-38(31)30-8-10-32(45)11-9-30/h3-15,24-25,29,34-35,52H,16-23,26-28H2,1-2H3,(H,50,51,53)/t34-/m1/s1 | PDB
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| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis |
ACS Med Chem Lett 4: 186-90 (2013)
Article DOI: 10.1021/ml300321d
BindingDB Entry DOI: 10.7270/Q2XS5WRF |
More data for this
Ligand-Target Pair | |
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