Found 19 hits of ic50 data for polymerid = 50004378 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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)) | 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 | |
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 | |
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 | |
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 | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345628
((S)-2-acetamido-3-((S)-2-((S)-1-((S)-1-amino-1-oxo...)Show SMILES 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/C22H32N5O9P/c1-13(20(30)26-16(19(23)29)11-15-7-4-3-5-8-15)24-21(31)18-9-6-10-27(18)22(32)17(25-14(2)28)12-36-37(33,34)35/h3-5,7-8,13,16-18H,6,9-12H2,1-2H3,(H2,23,29)(H,24,31)(H,25,28)(H,26,30)(H2,33,34,35)/t13-,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 | 3.50E+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)) | BDBM50345625
(2-((S)-2-acetamido-3-((S)-2-((2S,3R)-1-((S)-1-amin...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C(O)=O)C(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C26H35N5O10/c1-13(32)20(23(36)29-17(21(27)34)11-15-7-4-3-5-8-15)30-22(35)19-9-6-10-31(19)24(37)18(28-14(2)33)12-16(25(38)39)26(40)41/h3-5,7-8,13,16-20,32H,6,9-12H2,1-2H3,(H2,27,34)(H,28,33)(H,29,36)(H,30,35)(H,38,39)(H,40,41)/t13-,17+,18+,19+,20+/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 | 5.28E+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)) | BDBM50345636
((S)-2-acetamido-3-((S)-1-((S)-1-((S)-1-amino-1-oxo...)Show SMILES C[C@H](NC(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C20H30N5O9P/c1-11(23-20(30)16(24-13(3)26)10-34-35(31,32)33)18(28)22-12(2)19(29)25-15(17(21)27)9-14-7-5-4-6-8-14/h4-8,11-12,15-16H,9-10H2,1-3H3,(H2,21,27)(H,22,28)(H,23,30)(H,24,26)(H,25,29)(H2,31,32,33)/t11-,12-,15-,16-/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 | 9.84E+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)) | BDBM50345634
((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(Cc1cccc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C27H36N5O10P/c1-15(33)23(26(37)30-20(24(28)35)13-18-9-5-8-17-7-3-4-10-19(17)18)31-25(36)22-11-6-12-32(22)27(38)21(29-16(2)34)14-42-43(39,40)41/h3-5,7-10,15,20-23,33H,6,11-14H2,1-2H3,(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 | 1.72E+5 | 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)) | BDBM50345624
((S)-4-acetamido-5-((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](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C25H35N5O8/c1-14(31)21(24(37)28-18(22(26)35)13-16-7-4-3-5-8-16)29-23(36)19-9-6-12-30(19)25(38)17(27-15(2)32)10-11-20(33)34/h3-5,7-8,14,17-19,21,31H,6,9-13H2,1-2H3,(H2,26,35)(H,27,32)(H,28,37)(H,29,36)(H,33,34)/t14-,17+,18+,19+,21+/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 | >2.50E+5 | 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)) | BDBM50345638
((2R,5R,8R,11R)-11-benzyl-2-carbamoyl-8-((S)-1-hydr...)Show SMILES C[C@H](O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@H](COP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C21H32N5O10P/c1-11(19(30)25-16(18(22)29)10-36-37(33,34)35)23-21(32)17(12(2)27)26-20(31)15(24-13(3)28)9-14-7-5-4-6-8-14/h4-8,11-12,15-17,27H,9-10H2,1-3H3,(H2,22,29)(H,23,32)(H,24,28)(H,25,30)(H,26,31)(H2,33,34,35)/t11-,12+,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 | >2.50E+5 | 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)) | BDBM50345626
((2R,3S)-3-acetamido-4-((S)-2-((2S,3R)-1-((S)-1-ami...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C24H36N5O10P/c1-13(30)19(23(34)27-17(21(25)32)12-16-8-5-4-6-9-16)28-22(33)18-10-7-11-29(18)24(35)20(26-15(3)31)14(2)39-40(36,37)38/h4-6,8-9,13-14,17-20,30H,7,10-12H2,1-3H3,(H2,25,32)(H,26,31)(H,27,34)(H,28,33)(H2,36,37,38)/t13-,14-,17+,18+,19+,20+/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 | >2.50E+5 | 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)) | BDBM50345637
((S)-2-acetamido-3-((S)-2-((S)-2-((S)-1-amino-1-oxo...)Show SMILES CC(=O)N[C@@H](COP(O)(O)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C24H34N5O9P/c1-15(30)26-18(14-38-39(35,36)37)23(33)29-12-6-10-20(29)24(34)28-11-5-9-19(28)22(32)27-17(21(25)31)13-16-7-3-2-4-8-16/h2-4,7-8,17-20H,5-6,9-14H2,1H3,(H2,25,31)(H,26,30)(H,27,32)(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 | >2.50E+5 | 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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