Found 67 hits with Last Name = 'kizhake' and Initial = 's' 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 |
|---|
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50380359
(CHEMBL2017822)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)C\C=C\c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C32H41N4O10P/c1-21(2)28(30(39)34-24(32(41)42)19-23-13-7-4-8-14-23)35-29(38)26-16-10-18-36(26)31(40)25(20-46-47(43,44)45)33-27(37)17-9-15-22-11-5-3-6-12-22/h3-9,11-15,21,24-26,28H,10,16-20H2,1-2H3,(H,33,37)(H,34,39)(H,35,38)(H,41,42)(H2,43,44,45)/b15-9+/t24-,25-,26-,28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay |
ACS Med Chem Lett 2: 764-767 (2011)
Article DOI: 10.1021/ml200147a
BindingDB Entry DOI: 10.7270/Q2WH2R0Q |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50380358
(CHEMBL2017821)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)c1cccc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C35H41N4O10P/c1-22(2)30(33(42)36-27(35(44)45)19-23-11-5-3-6-12-23)38-32(41)29-17-10-18-39(29)34(43)28(21-49-50(46,47)48)37-31(40)26-16-9-15-25(20-26)24-13-7-4-8-14-24/h3-9,11-16,20,22,27-30H,10,17-19,21H2,1-2H3,(H,36,42)(H,37,40)(H,38,41)(H,44,45)(H2,46,47,48)/t27-,28-,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay |
ACS Med Chem Lett 2: 764-767 (2011)
Article DOI: 10.1021/ml200147a
BindingDB Entry DOI: 10.7270/Q2WH2R0Q |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50380353
(CHEMBL2017816)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C31H41N4O10P/c1-20(2)27(29(38)33-23(31(40)41)18-22-12-7-4-8-13-22)34-28(37)25-14-9-17-35(25)30(39)24(19-45-46(42,43)44)32-26(36)16-15-21-10-5-3-6-11-21/h3-8,10-13,20,23-25,27H,9,14-19H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)(H,40,41)(H2,42,43,44)/t23-,24-,25-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay |
ACS Med Chem Lett 2: 764-767 (2011)
Article DOI: 10.1021/ml200147a
BindingDB Entry DOI: 10.7270/Q2WH2R0Q |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50380352
(CHEMBL2017815)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C37H46N5O11P/c1-22(2)32(35(46)39-29(37(48)49)19-24-10-5-4-6-11-24)41-34(45)31-14-9-17-42(31)36(47)30(21-53-54(50,51)52)40-33(44)28(38-23(3)43)20-25-15-16-26-12-7-8-13-27(26)18-25/h4-8,10-13,15-16,18,22,28-32H,9,14,17,19-21H2,1-3H3,(H,38,43)(H,39,46)(H,40,44)(H,41,45)(H,48,49)(H2,50,51,52)/t28-,29-,30-,31-,32-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay |
ACS Med Chem Lett 2: 764-767 (2011)
Article DOI: 10.1021/ml200147a
BindingDB Entry DOI: 10.7270/Q2WH2R0Q |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345641
((S)-2-((S)-2-((S)-1-((S)-2-acetamido-3-(phosphonoo...)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H35N4O10P/c1-14(2)20(22(31)26-17(24(33)34)12-16-8-5-4-6-9-16)27-21(30)19-10-7-11-28(19)23(32)18(25-15(3)29)13-38-39(35,36)37/h4-6,8-9,14,17-20H,7,10-13H2,1-3H3,(H,25,29)(H,26,31)(H,27,30)(H,33,34)(H2,35,36,37)/t17-,18-,19-,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay |
ACS Med Chem Lett 2: 764-767 (2011)
Article DOI: 10.1021/ml200147a
BindingDB Entry DOI: 10.7270/Q2WH2R0Q |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345640
((S)-2-((2S,3R)-2-((S)-1-((S)-2-acetamido-3-(phosph...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H33N4O11P/c1-13(28)19(21(31)25-16(23(33)34)11-15-7-4-3-5-8-15)26-20(30)18-9-6-10-27(18)22(32)17(24-14(2)29)12-38-39(35,36)37/h3-5,7-8,13,16-19,28H,6,9-12H2,1-2H3,(H,24,29)(H,25,31)(H,26,30)(H,33,34)(H2,35,36,37)/t13-,16+,17+,18+,19+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay |
ACS Med Chem Lett 2: 764-767 (2011)
Article DOI: 10.1021/ml200147a
BindingDB Entry DOI: 10.7270/Q2WH2R0Q |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50380354
(CHEMBL2017817)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C32H43N4O10P/c1-21(2)28(30(39)34-24(32(41)42)19-23-13-7-4-8-14-23)35-29(38)26-16-10-18-36(26)31(40)25(20-46-47(43,44)45)33-27(37)17-9-15-22-11-5-3-6-12-22/h3-8,11-14,21,24-26,28H,9-10,15-20H2,1-2H3,(H,33,37)(H,34,39)(H,35,38)(H,41,42)(H2,43,44,45)/t24-,25-,26-,28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay |
ACS Med Chem Lett 2: 764-767 (2011)
Article DOI: 10.1021/ml200147a
BindingDB Entry DOI: 10.7270/Q2WH2R0Q |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50380351
(CHEMBL2017814)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C37H47N6O10P/c1-22(2)32(36(48)40-28(33(38)45)19-24-10-5-4-6-11-24)42-35(47)31-14-9-17-43(31)37(49)30(21-53-54(50,51)52)41-34(46)29(39-23(3)44)20-25-15-16-26-12-7-8-13-27(26)18-25/h4-8,10-13,15-16,18,22,28-32H,9,14,17,19-21H2,1-3H3,(H2,38,45)(H,39,44)(H,40,48)(H,41,46)(H,42,47)(H2,50,51,52)/t28-,29-,30-,31-,32-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay |
ACS Med Chem Lett 2: 764-767 (2011)
Article DOI: 10.1021/ml200147a
BindingDB Entry DOI: 10.7270/Q2WH2R0Q |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50380349
(CHEMBL2017812)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C36H45N6O11P/c1-21(43)31(35(48)39-27(32(37)45)18-23-9-4-3-5-10-23)41-34(47)30-13-8-16-42(30)36(49)29(20-53-54(50,51)52)40-33(46)28(38-22(2)44)19-24-14-15-25-11-6-7-12-26(25)17-24/h3-7,9-12,14-15,17,21,27-31,43H,8,13,16,18-20H2,1-2H3,(H2,37,45)(H,38,44)(H,39,48)(H,40,46)(H,41,47)(H2,50,51,52)/t21-,27+,28+,29+,30+,31+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay |
ACS Med Chem Lett 2: 764-767 (2011)
Article DOI: 10.1021/ml200147a
BindingDB Entry DOI: 10.7270/Q2WH2R0Q |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345623
((S)-2-acetamido-3-((S)-2-((2S,3R)-1-((S)-1-amino-1...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C23H34N5O10P/c1-13(29)19(22(33)26-16(20(24)31)11-15-7-4-3-5-8-15)27-21(32)18-9-6-10-28(18)23(34)17(25-14(2)30)12-38-39(35,36)37/h3-5,7-8,13,16-19,29H,6,9-12H2,1-2H3,(H2,24,31)(H,25,30)(H,26,33)(H,27,32)(H2,35,36,37)/t13-,16+,17+,18+,19+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay |
ACS Med Chem Lett 2: 764-767 (2011)
Article DOI: 10.1021/ml200147a
BindingDB Entry DOI: 10.7270/Q2WH2R0Q |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345629
((S)-2-acetamido-3-((S)-2-((S)-1-((S)-1-amino-1-oxo...)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C24H36N5O9P/c1-14(2)20(23(33)27-17(21(25)31)12-16-8-5-4-6-9-16)28-22(32)19-10-7-11-29(19)24(34)18(26-15(3)30)13-38-39(35,36)37/h4-6,8-9,14,17-20H,7,10-13H2,1-3H3,(H2,25,31)(H,26,30)(H,27,33)(H,28,32)(H2,35,36,37)/t17-,18-,19-,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay |
ACS Med Chem Lett 2: 764-767 (2011)
Article DOI: 10.1021/ml200147a
BindingDB Entry DOI: 10.7270/Q2WH2R0Q |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50380357
(CHEMBL2017820)Show SMILES COc1ccc(CCC(=O)N[C@@H](COP(O)(O)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)cc1OC |r| Show InChI InChI=1S/C33H45N4O12P/c1-20(2)29(31(40)35-23(33(42)43)17-21-9-6-5-7-10-21)36-30(39)25-11-8-16-37(25)32(41)24(19-49-50(44,45)46)34-28(38)15-13-22-12-14-26(47-3)27(18-22)48-4/h5-7,9-10,12,14,18,20,23-25,29H,8,11,13,15-17,19H2,1-4H3,(H,34,38)(H,35,40)(H,36,39)(H,42,43)(H2,44,45,46)/t23-,24-,25-,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay |
ACS Med Chem Lett 2: 764-767 (2011)
Article DOI: 10.1021/ml200147a
BindingDB Entry DOI: 10.7270/Q2WH2R0Q |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50380355
(CHEMBL2017818)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)CCCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C33H45N4O10P/c1-22(2)29(31(40)35-25(33(42)43)20-24-15-7-4-8-16-24)36-30(39)27-17-11-19-37(27)32(41)26(21-47-48(44,45)46)34-28(38)18-10-9-14-23-12-5-3-6-13-23/h3-8,12-13,15-16,22,25-27,29H,9-11,14,17-21H2,1-2H3,(H,34,38)(H,35,40)(H,36,39)(H,42,43)(H2,44,45,46)/t25-,26-,27-,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay |
ACS Med Chem Lett 2: 764-767 (2011)
Article DOI: 10.1021/ml200147a
BindingDB Entry DOI: 10.7270/Q2WH2R0Q |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50380356
(CHEMBL2017819)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C34H41N4O10P/c1-21(2)30(32(41)36-26(34(43)44)18-22-10-4-3-5-11-22)37-31(40)28-16-9-17-38(28)33(42)27(20-48-49(45,46)47)35-29(39)19-24-14-8-13-23-12-6-7-15-25(23)24/h3-8,10-15,21,26-28,30H,9,16-20H2,1-2H3,(H,35,39)(H,36,41)(H,37,40)(H,43,44)(H2,45,46,47)/t26-,27-,28-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay |
ACS Med Chem Lett 2: 764-767 (2011)
Article DOI: 10.1021/ml200147a
BindingDB Entry DOI: 10.7270/Q2WH2R0Q |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50380350
(CHEMBL2017813)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C36H45N6O11P/c1-21(43)31(35(48)39-27(32(37)45)18-23-9-4-3-5-10-23)41-34(47)30-13-8-16-42(30)36(49)29(20-53-54(50,51)52)40-33(46)28(38-22(2)44)19-24-14-15-25-11-6-7-12-26(25)17-24/h3-7,9-12,14-15,17,21,27-31,43H,8,13,16,18-20H2,1-2H3,(H2,37,45)(H,38,44)(H,39,48)(H,40,46)(H,41,47)(H2,50,51,52)/t21-,27+,28-,29+,30+,31+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.94E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay |
ACS Med Chem Lett 2: 764-767 (2011)
Article DOI: 10.1021/ml200147a
BindingDB Entry DOI: 10.7270/Q2WH2R0Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357312
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM50570973
(CHEMBL4864688)Show SMILES O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK5 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of CDK5/p35 (unknown origin) in presence of ATP |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/CyclinE (unknown origin) in presence of ATP |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM50570974
(CHEMBL4846069) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK5 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50570974
(CHEMBL4846069) | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50570973
(CHEMBL4864688)Show SMILES O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 | 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 | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50309910
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 465 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50570973
(CHEMBL4864688)Show SMILES O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK9 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 911 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345640
((S)-2-((2S,3R)-2-((S)-1-((S)-2-acetamido-3-(phosph...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H33N4O11P/c1-13(28)19(21(31)25-16(23(33)34)11-15-7-4-3-5-8-15)26-20(30)18-9-6-10-27(18)22(32)17(24-14(2)29)12-38-39(35,36)37/h3-5,7-8,13,16-19,28H,6,9-12H2,1-2H3,(H,24,29)(H,25,31)(H,26,30)(H,33,34)(H2,35,36,37)/t13-,16+,17+,18+,19+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of BRCA1 by fluorescence polarization assay |
J Med Chem 54: 4264-8 (2011)
Article DOI: 10.1021/jm1016413
BindingDB Entry DOI: 10.7270/Q2RX9CD3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50570974
(CHEMBL4846069) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK9 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128061
BindingDB Entry DOI: 10.7270/Q2348Q6B |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345641
((S)-2-((S)-2-((S)-1-((S)-2-acetamido-3-(phosphonoo...)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H35N4O10P/c1-14(2)20(22(31)26-17(24(33)34)12-16-8-5-4-6-9-16)27-21(30)19-10-7-11-28(19)23(32)18(25-15(3)29)13-38-39(35,36)37/h4-6,8-9,14,17-20H,7,10-13H2,1-3H3,(H,25,29)(H,26,31)(H,27,30)(H,33,34)(H2,35,36,37)/t17-,18-,19-,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of BRCA1 by fluorescence polarization assay |
J Med Chem 54: 4264-8 (2011)
Article DOI: 10.1021/jm1016413
BindingDB Entry DOI: 10.7270/Q2RX9CD3 |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345629
((S)-2-acetamido-3-((S)-2-((S)-1-((S)-1-amino-1-oxo...)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C24H36N5O9P/c1-14(2)20(23(33)27-17(21(25)31)12-16-8-5-4-6-9-16)28-22(32)19-10-7-11-29(19)24(34)18(26-15(3)30)13-38-39(35,36)37/h4-6,8-9,14,17-20H,7,10-13H2,1-3H3,(H2,25,31)(H,26,30)(H,27,33)(H,28,32)(H2,35,36,37)/t17-,18-,19-,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of BRCA1 by fluorescence polarization assay |
J Med Chem 54: 4264-8 (2011)
Article DOI: 10.1021/jm1016413
BindingDB Entry DOI: 10.7270/Q2RX9CD3 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50572632
(CHEMBL1760195)Show SMILES Brc1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TNFalpha-induced IKKbeta mediated NF-kappaB activation in human Pancreatic cancer cells by luciferase reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113579
BindingDB Entry DOI: 10.7270/Q2DZ0D39 |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345623
((S)-2-acetamido-3-((S)-2-((2S,3R)-1-((S)-1-amino-1...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C23H34N5O10P/c1-13(29)19(22(33)26-16(20(24)31)11-15-7-4-3-5-8-15)27-21(32)18-9-6-10-28(18)23(34)17(25-14(2)30)12-38-39(35,36)37/h3-5,7-8,13,16-19,29H,6,9-12H2,1-2H3,(H2,24,31)(H,25,30)(H,26,33)(H,27,32)(H2,35,36,37)/t13-,16+,17+,18+,19+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of BRCA1 by fluorescence polarization assay |
J Med Chem 54: 4264-8 (2011)
Article DOI: 10.1021/jm1016413
BindingDB Entry DOI: 10.7270/Q2RX9CD3 |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345631
((S)-2-acetamido-3-((S)-2-((2S,3S)-1-((S)-1-amino-1...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C25H38N5O9P/c1-4-15(2)21(24(34)28-18(22(26)32)13-17-9-6-5-7-10-17)29-23(33)20-11-8-12-30(20)25(35)19(27-16(3)31)14-39-40(36,37)38/h5-7,9-10,15,18-21H,4,8,11-14H2,1-3H3,(H2,26,32)(H,27,31)(H,28,34)(H,29,33)(H2,36,37,38)/t15-,18-,19-,20-,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of BRCA1 by fluorescence polarization assay |
J Med Chem 54: 4264-8 (2011)
Article DOI: 10.1021/jm1016413
BindingDB Entry DOI: 10.7270/Q2RX9CD3 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50572633
(CHEMBL4865581)Show SMILES Cn1ccc(n1)-c1cnc2ccc(NC(=O)Nc3cccc(c3F)C(F)(F)F)cc2n1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TNFalpha-induced IKKbeta mediated NF-kappaB activation in human Pancreatic cancer cells by luciferase reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113579
BindingDB Entry DOI: 10.7270/Q2DZ0D39 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of LRRK2 (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of MAPK14 (unknown origin) after 22 mins by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of ITK (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of DLK (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of Aurora A (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of TRKA (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B (unknown origin) |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50506700
(CHEMBL4439395)Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1 Show InChI InChI=1S/C21H21N3O/c25-21(22-20-14-19(23-24-20)18-7-4-8-18)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18H,4,7-8,13H2,(H2,22,23,24,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eppley Institute for Research in Cancer and Allied Diseases
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 (unknown origin) after 22 mins by homogeneous time-resolved fluorescence assay |
Bioorg Med Chem Lett 28: 3736-3740 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.020
BindingDB Entry DOI: 10.7270/Q26M3B39 |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345639
((S)-2-amino-3-((S)-2-((2S,3R)-1-((S)-1-amino-1-oxo...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)COP(O)(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C21H32N5O9P/c1-12(27)17(20(30)24-15(18(23)28)10-13-6-3-2-4-7-13)25-19(29)16-8-5-9-26(16)21(31)14(22)11-35-36(32,33)34/h2-4,6-7,12,14-17,27H,5,8-11,22H2,1H3,(H2,23,28)(H,24,30)(H,25,29)(H2,32,33,34)/t12-,14+,15+,16+,17+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of BRCA1 by fluorescence polarization assay |
J Med Chem 54: 4264-8 (2011)
Article DOI: 10.1021/jm1016413
BindingDB Entry DOI: 10.7270/Q2RX9CD3 |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345635
((S)-2-acetamido-3-((S)-2-((2S,3R)-1-((S)-1-amino-3...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C23H34N5O11P/c1-12(29)19(22(34)26-16(20(24)32)10-14-5-7-15(31)8-6-14)27-21(33)18-4-3-9-28(18)23(35)17(25-13(2)30)11-39-40(36,37)38/h5-8,12,16-19,29,31H,3-4,9-11H2,1-2H3,(H2,24,32)(H,25,30)(H,26,34)(H,27,33)(H2,36,37,38)/t12-,16+,17+,18+,19+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of BRCA1 by fluorescence polarization assay |
J Med Chem 54: 4264-8 (2011)
Article DOI: 10.1021/jm1016413
BindingDB Entry DOI: 10.7270/Q2RX9CD3 |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345627
((S)-2-acetamido-3-((S)-1-((2S,3R)-1-((S)-1-amino-1...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C21H32N5O10P/c1-11(23-20(31)16(24-13(3)28)10-36-37(33,34)35)19(30)26-17(12(2)27)21(32)25-15(18(22)29)9-14-7-5-4-6-8-14/h4-8,11-12,15-17,27H,9-10H2,1-3H3,(H2,22,29)(H,23,31)(H,24,28)(H,25,32)(H,26,30)(H2,33,34,35)/t11-,12+,15-,16-,17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of BRCA1 by fluorescence polarization assay |
J Med Chem 54: 4264-8 (2011)
Article DOI: 10.1021/jm1016413
BindingDB Entry DOI: 10.7270/Q2RX9CD3 |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345633
((2S)-2-acetamido-3-((2S)-2-((2S,3R)-1-(1-amino-3-(...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)NC(Cc1ccc2ccccc2c1)C(N)=O |r| Show InChI InChI=1S/C27H36N5O10P/c1-15(33)23(26(37)30-20(24(28)35)13-17-9-10-18-6-3-4-7-19(18)12-17)31-25(36)22-8-5-11-32(22)27(38)21(29-16(2)34)14-42-43(39,40)41/h3-4,6-7,9-10,12,15,20-23,33H,5,8,11,13-14H2,1-2H3,(H2,28,35)(H,29,34)(H,30,37)(H,31,36)(H2,39,40,41)/t15-,20?,21+,22+,23+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of BRCA1 by fluorescence polarization assay |
J Med Chem 54: 4264-8 (2011)
Article DOI: 10.1021/jm1016413
BindingDB Entry DOI: 10.7270/Q2RX9CD3 |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345632
((S)-2-acetamido-3-((S)-2-((S)-1-((S)-1-amino-1-oxo...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C25H38N5O9P/c1-15(2)12-19(23(33)28-18(22(26)32)13-17-8-5-4-6-9-17)29-24(34)21-10-7-11-30(21)25(35)20(27-16(3)31)14-39-40(36,37)38/h4-6,8-9,15,18-21H,7,10-14H2,1-3H3,(H2,26,32)(H,27,31)(H,28,33)(H,29,34)(H2,36,37,38)/t18-,19-,20-,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of BRCA1 by fluorescence polarization assay |
J Med Chem 54: 4264-8 (2011)
Article DOI: 10.1021/jm1016413
BindingDB Entry DOI: 10.7270/Q2RX9CD3 |
More data for this
Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345630
((S)-2-acetamido-3-((S)-2-((S)-1-((S)-1-amino-1-oxo...)Show SMILES CC(=O)N[C@@H](COP(O)(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C22H32N5O10P/c1-13(29)24-17(12-37-38(34,35)36)22(33)27-9-5-8-18(27)21(32)26-16(11-28)20(31)25-15(19(23)30)10-14-6-3-2-4-7-14/h2-4,6-7,15-18,28H,5,8-12H2,1H3,(H2,23,30)(H,24,29)(H,25,31)(H,26,32)(H2,34,35,36)/t15-,16-,17-,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of BRCA1 by fluorescence polarization assay |
J Med Chem 54: 4264-8 (2011)
Article DOI: 10.1021/jm1016413
BindingDB Entry DOI: 10.7270/Q2RX9CD3 |
More data for this
Ligand-Target Pair | |
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