Found 32 hits of ic50 for UniProtKB: P23025 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 |
|---|
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241713
(CHEMBL4065804)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OCc1ccccc1)c1ccc(Cl)c(c1)C(O)=O |t:1| Show InChI InChI=1S/C30H20Cl2N2O6/c1-17-22(28(35)34(33-17)20-8-11-25(31)23(14-20)29(36)37)15-21-9-12-27(40-21)19-7-10-26(32)24(13-19)30(38)39-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H,36,37)/b22-15- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of Fibrinogen binding to Fibrinogen receptor |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241670
(CHEMBL4085647)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OCc1ccccc1Cl)c1ccc(Cl)c(c1)C(O)=O |t:1| Show InChI InChI=1S/C30H19Cl3N2O6/c1-16-21(28(36)35(34-16)19-7-10-25(32)22(13-19)29(37)38)14-20-8-11-27(41-20)17-6-9-26(33)23(12-17)30(39)40-15-18-4-2-3-5-24(18)31/h2-14H,15H2,1H3,(H,37,38)/b21-14- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241689
(CHEMBL4068522)Show SMILES CC(C)OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(C)=NN(C2=O)c2ccc(Cl)c(c2)C(O)=O)o1 |c:20| Show InChI InChI=1S/C26H21ClN2O6/c1-14(2)34-26(33)17-6-4-5-16(11-17)23-10-8-19(35-23)13-20-15(3)28-29(24(20)30)18-7-9-22(27)21(12-18)25(31)32/h4-14H,1-3H3,(H,31,32)/b20-13- | PDB
UniProtKB/SwissProt
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 |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of full length human XPA expressed in Sf9 cells assessed as reduction in interaction of XPA with 32P-labeled cisplatin-modified dsDNA by E... |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241682
(CHEMBL4087223)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OCc1ccccc1Cl)c1cccc(c1)C(O)=O |t:1| Show InChI InChI=1S/C30H20Cl2N2O6/c1-17-23(28(35)34(33-17)21-7-4-6-19(13-21)29(36)37)15-22-10-12-27(40-22)18-9-11-26(32)24(14-18)30(38)39-16-20-5-2-3-8-25(20)31/h2-15H,16H2,1H3,(H,36,37)/b23-15- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241715
(CHEMBL4080244)Show SMILES CCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\C(C)=NN(C2=O)c2cccc(c2)C(O)=O)o1 |c:20| Show InChI InChI=1S/C25H19ClN2O6/c1-3-33-25(32)20-12-15(7-9-21(20)26)22-10-8-18(34-22)13-19-14(2)27-28(23(19)29)17-6-4-5-16(11-17)24(30)31/h4-13H,3H2,1-2H3,(H,30,31)/b19-13- | PDB
UniProtKB/SwissProt
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of full length human XPA expressed in Sf9 cells assessed as reduction in interaction of XPA with 32P-labeled cisplatin-modified dsDNA by E... |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241691
(CHEMBL4098283)Show SMILES CCOC(=O)c1cccc(c1)-c1ccc(\C=C2\C(C)=NN(C2=O)c2ccc(Cl)c(c2)C(O)=O)o1 |c:19| Show InChI InChI=1S/C25H19ClN2O6/c1-3-33-25(32)16-6-4-5-15(11-16)22-10-8-18(34-22)13-19-14(2)27-28(23(19)29)17-7-9-21(26)20(12-17)24(30)31/h4-13H,3H2,1-2H3,(H,30,31)/b19-13- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241714
(CHEMBL4095853)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OCC=C)c1ccc(Cl)c(c1)C(O)=O |t:1| Show InChI InChI=1S/C26H18Cl2N2O6/c1-3-10-35-26(34)20-11-15(4-7-22(20)28)23-9-6-17(36-23)13-18-14(2)29-30(24(18)31)16-5-8-21(27)19(12-16)25(32)33/h3-9,11-13H,1,10H2,2H3,(H,32,33)/b18-13- | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of full length human XPA expressed in Sf9 cells assessed as reduction in interaction of XPA with 32P-labeled cisplatin-modified dsDNA by E... |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241676
(CHEMBL4089182)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)NCc1ccc(F)cc1)c1ccc(cc1)C(O)=O |t:1| Show InChI InChI=1S/C30H21ClFN3O5/c1-17-24(29(37)35(34-17)22-9-4-19(5-10-22)30(38)39)15-23-11-13-27(40-23)20-6-12-26(31)25(14-20)28(36)33-16-18-2-7-21(32)8-3-18/h2-15H,16H2,1H3,(H,33,36)(H,38,39)/b24-15- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241679
(CHEMBL4080393)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)c1ccc(cc1)C(O)=O |t:1| Show InChI InChI=1S/C30H22FN3O5/c1-18-26(29(36)34(33-18)24-12-8-22(9-13-24)30(37)38)16-25-14-15-27(39-25)20-4-6-21(7-5-20)28(35)32-17-19-2-10-23(31)11-3-19/h2-16H,17H2,1H3,(H,32,35)(H,37,38)/b26-16- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241684
(CHEMBL4088120)Show SMILES CCCCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\C(C)=NN(C2=O)c2cccc(c2)C(O)=O)o1 |c:22| Show InChI InChI=1S/C27H23ClN2O6/c1-3-4-12-35-27(34)22-14-17(8-10-23(22)28)24-11-9-20(36-24)15-21-16(2)29-30(25(21)31)19-7-5-6-18(13-19)26(32)33/h5-11,13-15H,3-4,12H2,1-2H3,(H,32,33)/b21-15- | PDB
UniProtKB/SwissProt
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AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241677
(CHEMBL4096889)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)NCC1CC1)c1ccc(cc1)C(O)=O |t:1| Show InChI InChI=1S/C27H22ClN3O5/c1-15-21(26(33)31(30-15)19-7-4-17(5-8-19)27(34)35)13-20-9-11-24(36-20)18-6-10-23(28)22(12-18)25(32)29-14-16-2-3-16/h4-13,16H,2-3,14H2,1H3,(H,29,32)(H,34,35)/b21-13- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241683
(CHEMBL4059855)Show SMILES CCCCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\C(C)=NN(C2=O)c2ccc(Cl)c(c2)C(O)=O)o1 |c:22| Show InChI InChI=1S/C27H22Cl2N2O6/c1-3-4-11-36-27(35)21-12-16(5-8-23(21)29)24-10-7-18(37-24)14-19-15(2)30-31(25(19)32)17-6-9-22(28)20(13-17)26(33)34/h5-10,12-14H,3-4,11H2,1-2H3,(H,33,34)/b19-14- | PDB
UniProtKB/SwissProt
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241673
(CHEMBL4083144)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)NCC1CC1)c1cccc(c1)C(O)=O |t:1| Show InChI InChI=1S/C27H22ClN3O5/c1-15-21(26(33)31(30-15)19-4-2-3-18(11-19)27(34)35)13-20-8-10-24(36-20)17-7-9-23(28)22(12-17)25(32)29-14-16-5-6-16/h2-4,7-13,16H,5-6,14H2,1H3,(H,29,32)(H,34,35)/b21-13- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of Fibrinogen binding to Fibrinogen receptor |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241695
(CHEMBL4061825)Show SMILES COC(=O)c1cccc(c1)-c1ccc(\C=C2/C(=O)N(N=C2C(F)(F)F)c2cccc(c2)C(O)=O)o1 |c:20| Show InChI InChI=1S/C24H15F3N2O6/c1-34-23(33)15-6-2-4-13(10-15)19-9-8-17(35-19)12-18-20(24(25,26)27)28-29(21(18)30)16-7-3-5-14(11-16)22(31)32/h2-12H,1H3,(H,31,32)/b18-12- | PDB
UniProtKB/SwissProt
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of full length human XPA expressed in Sf9 cells assessed as reduction in interaction of XPA with 32P-labeled cisplatin-modified dsDNA by E... |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241672
(CHEMBL4101139)Show SMILES COc1ccc(NC(=O)c2cc(ccc2Cl)-c2ccc(\C=C3\C(C)=NN(C3=O)c3cccc(c3)C(O)=O)o2)cc1OC |c:24| Show InChI InChI=1S/C31H24ClN3O7/c1-17-23(30(37)35(34-17)21-6-4-5-19(13-21)31(38)39)16-22-9-12-26(42-22)18-7-10-25(32)24(14-18)29(36)33-20-8-11-27(40-2)28(15-20)41-3/h4-16H,1-3H3,(H,33,36)(H,38,39)/b23-16- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241711
(CHEMBL4061003)Show SMILES COc1cccc(NC(=O)c2cc(ccc2Cl)-c2ccc(\C=C3\C(C)=NN(C3=O)c3ccc(cc3)C(O)=O)o2)c1 |c:25| Show InChI InChI=1S/C30H22ClN3O6/c1-17-24(29(36)34(33-17)21-9-6-18(7-10-21)30(37)38)16-23-11-13-27(40-23)19-8-12-26(31)25(14-19)28(35)32-20-4-3-5-22(15-20)39-2/h3-16H,1-2H3,(H,32,35)(H,37,38)/b24-16- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241699
(CHEMBL4062874)Show SMILES COc1cc(ccc1-c1ccc(\C=C2\C(C)=NN(C2=O)c2cccc(c2)C(O)=O)o1)[N+]([O-])=O |c:16| Show InChI InChI=1S/C23H17N3O7/c1-13-19(22(27)25(24-13)15-5-3-4-14(10-15)23(28)29)12-17-7-9-20(33-17)18-8-6-16(26(30)31)11-21(18)32-2/h3-12H,1-2H3,(H,28,29)/b19-12- | PDB
UniProtKB/SwissProt
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241706
(CHEMBL4077792)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)NCc1ccc(F)cc1)c1cccc(c1)C(O)=O |t:1| Show InChI InChI=1S/C30H21ClFN3O5/c1-17-24(29(37)35(34-17)22-4-2-3-20(13-22)30(38)39)15-23-10-12-27(40-23)19-7-11-26(31)25(14-19)28(36)33-16-18-5-8-21(32)9-6-18/h2-15H,16H2,1H3,(H,33,36)(H,38,39)/b24-15- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241690
(CHEMBL4069536)Show SMILES CCCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\C(C)=NN(C2=O)c2cccc(c2)C(O)=O)o1 |c:21| Show InChI InChI=1S/C26H21ClN2O6/c1-3-11-34-26(33)21-13-16(7-9-22(21)27)23-10-8-19(35-23)14-20-15(2)28-29(24(20)30)18-6-4-5-17(12-18)25(31)32/h4-10,12-14H,3,11H2,1-2H3,(H,31,32)/b20-14- | PDB
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| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241700
(CHEMBL4084551)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(cc1Br)[N+]([O-])=O)c1cccc(c1)C(O)=O |t:1| Show InChI InChI=1S/C22H14BrN3O6/c1-12-18(21(27)25(24-12)14-4-2-3-13(9-14)22(28)29)11-16-6-8-20(32-16)17-7-5-15(26(30)31)10-19(17)23/h2-11H,1H3,(H,28,29)/b18-11- | PDB
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| n/a | n/a | 1.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241680
(CHEMBL4066964)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(cc1)C(=O)NCC1CC1)c1ccc(cc1)C(O)=O |t:1| Show InChI InChI=1S/C27H23N3O5/c1-16-23(26(32)30(29-16)21-10-8-20(9-11-21)27(33)34)14-22-12-13-24(35-22)18-4-6-19(7-5-18)25(31)28-15-17-2-3-17/h4-14,17H,2-3,15H2,1H3,(H,28,31)(H,33,34)/b23-14- | PDB
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| n/a | n/a | 1.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of full length human XPA expressed in Sf9 cells assessed as reduction in interaction of XPA with 32P-labeled cisplatin-modified dsDNA by E... |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241681
(CHEMBL4086573)Show SMILES COc1cccc(NC(=O)c2cc(ccc2Cl)-c2ccc(\C=C3\C(C)=NN(C3=O)c3cccc(c3)C(O)=O)o2)c1 |c:25| Show InChI InChI=1S/C30H22ClN3O6/c1-17-24(29(36)34(33-17)21-7-3-5-19(13-21)30(37)38)16-23-10-12-27(40-23)18-9-11-26(31)25(14-18)28(35)32-20-6-4-8-22(15-20)39-2/h3-16H,1-2H3,(H,32,35)(H,37,38)/b24-16- | PDB
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| n/a | n/a | 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241675
(CHEMBL4078719)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)NCC1CCOCC1)c1cccc(c1)C(O)=O |t:1| Show InChI InChI=1S/C29H26ClN3O6/c1-17-23(28(35)33(32-17)21-4-2-3-20(13-21)29(36)37)15-22-6-8-26(39-22)19-5-7-25(30)24(14-19)27(34)31-16-18-9-11-38-12-10-18/h2-8,13-15,18H,9-12,16H2,1H3,(H,31,34)(H,36,37)/b23-15- | PDB
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| n/a | n/a | 1.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241716
(CHEMBL4100999)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(cc1Br)[N+]([O-])=O)c1ccc(Cl)c(c1)C(O)=O |t:1| Show InChI InChI=1S/C22H13BrClN3O6/c1-11-16(21(28)26(25-11)12-3-6-19(24)17(8-12)22(29)30)10-14-4-7-20(33-14)15-5-2-13(27(31)32)9-18(15)23/h2-10H,1H3,(H,29,30)/b16-10- | PDB
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| n/a | n/a | 1.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of Fibrinogen binding to Fibrinogen receptor |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241671
(CHEMBL4064076)Show SMILES CCOC(=O)c1cccc(c1)N1N=C(C)\C(=C\c2ccc(o2)-c2ccc(Cl)c(c2)C(=O)NCc2ccc(F)cc2)C1=O |t:13| Show InChI InChI=1S/C32H25ClFN3O5/c1-3-41-32(40)22-5-4-6-24(15-22)37-31(39)26(19(2)36-37)17-25-12-14-29(42-25)21-9-13-28(33)27(16-21)30(38)35-18-20-7-10-23(34)11-8-20/h4-17H,3,18H2,1-2H3,(H,35,38)/b26-17- | PDB
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| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241704
(CHEMBL4060264)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccccc1C(O)=O)c1cccc(c1)C(O)=O |t:1| Show InChI InChI=1S/C23H16N2O6/c1-13-19(21(26)25(24-13)15-6-4-5-14(11-15)22(27)28)12-16-9-10-20(31-16)17-7-2-3-8-18(17)23(29)30/h2-12H,1H3,(H,27,28)(H,29,30)/b19-12- | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241701
(CHEMBL481763)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(cc1)C(O)=O)c1cccc(c1)C(O)=O |t:1| Show InChI InChI=1S/C23H16N2O6/c1-13-19(21(26)25(24-13)17-4-2-3-16(11-17)23(29)30)12-18-9-10-20(31-18)14-5-7-15(8-6-14)22(27)28/h2-12H,1H3,(H,27,28)(H,29,30)/b19-12- | PDB
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Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241712
(CHEMBL4104617)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(cc1)C(=O)NCC1CC1)c1cccc(c1)C(O)=O |t:1| Show InChI InChI=1S/C27H23N3O5/c1-16-23(26(32)30(29-16)21-4-2-3-20(13-21)27(33)34)14-22-11-12-24(35-22)18-7-9-19(10-8-18)25(31)28-15-17-5-6-17/h2-4,7-14,17H,5-6,15H2,1H3,(H,28,31)(H,33,34)/b23-14- | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of full length human XPA expressed in Sf9 cells assessed as reduction in interaction of XPA with 32P-labeled cisplatin-modified dsDNA by E... |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241678
(CHEMBL4069684)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)c1cccc(c1)C(O)=O |t:1| Show InChI InChI=1S/C30H22FN3O5/c1-18-26(29(36)34(33-18)24-4-2-3-22(15-24)30(37)38)16-25-13-14-27(39-25)20-7-9-21(10-8-20)28(35)32-17-19-5-11-23(31)12-6-19/h2-16H,17H2,1H3,(H,32,35)(H,37,38)/b26-16- | PDB
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Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241674
(CHEMBL4093387)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)NCC1CC1)c1cccc(c1)C(=O)NCC1CC1 |t:1| Show InChI InChI=1S/C31H29ClN4O4/c1-18-25(31(39)36(35-18)23-4-2-3-22(13-23)29(37)33-16-19-5-6-19)15-24-10-12-28(40-24)21-9-11-27(32)26(14-21)30(38)34-17-20-7-8-20/h2-4,9-15,19-20H,5-8,16-17H2,1H3,(H,33,37)(H,34,38)/b25-15- | PDB
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Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241717
(CHEMBL520941)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O)c1cccc(c1)C(O)=O |t:1| Show InChI InChI=1S/C23H15ClN2O6/c1-12-17(21(27)26(25-12)15-4-2-3-14(9-15)22(28)29)11-16-6-8-20(32-16)13-5-7-19(24)18(10-13)23(30)31/h2-11H,1H3,(H,28,29)(H,30,31)/b17-11- | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
DNA repair protein complementing XP-A cells
(Homo sapiens) | BDBM50241705
(CHEMBL481937)Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cccc(c1)C(O)=O)c1cccc(c1)C(O)=O |t:1| Show InChI InChI=1S/C23H16N2O6/c1-13-19(21(26)25(24-13)17-7-3-6-16(11-17)23(29)30)12-18-8-9-20(31-18)14-4-2-5-15(10-14)22(27)28/h2-12H,1H3,(H,27,28)(H,29,30)/b19-12- | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8055-8070 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00780
BindingDB Entry DOI: 10.7270/Q2FF3VJS |
More data for this
Ligand-Target Pair | |
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