Found 10 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50240198
(CHEMBL4066053)Show SMILES FC(F)(F)c1cccc(c1)N1CCN(Cn2nc(oc2=S)-c2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C22H21F3N4O3S/c23-22(24,25)16-2-1-3-17(13-16)28-8-6-27(7-9-28)14-29-21(33)32-20(26-29)15-4-5-18-19(12-15)31-11-10-30-18/h1-5,12-13H,6-11,14H2 | 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 | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined |
Bioorg Med Chem 25: 2593-2600 (2017)
Article DOI: 10.1016/j.bmc.2017.03.038
BindingDB Entry DOI: 10.7270/Q2XP772B |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50240195
(CHEMBL4068178)Show SMILES S=c1oc(nn1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C28H28N4O3S/c36-28-32(29-27(35-28)23-11-12-24-25(19-23)34-18-17-33-24)20-30-13-15-31(16-14-30)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,19,26H,13-18,20H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) by enzyme immuno assay |
Bioorg Med Chem 25: 2593-2600 (2017)
Article DOI: 10.1016/j.bmc.2017.03.038
BindingDB Entry DOI: 10.7270/Q2XP772B |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50240202
(CHEMBL4096055)Show SMILES Clc1ccccc1N1CCN(Cn2nc(oc2=S)-c2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C21H21ClN4O3S/c22-16-3-1-2-4-17(16)25-9-7-24(8-10-25)14-26-21(30)29-20(23-26)15-5-6-18-19(13-15)28-12-11-27-18/h1-6,13H,7-12,14H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) by enzyme immuno assay |
Bioorg Med Chem 25: 2593-2600 (2017)
Article DOI: 10.1016/j.bmc.2017.03.038
BindingDB Entry DOI: 10.7270/Q2XP772B |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50240196
(CHEMBL4095558)Show SMILES COc1ccccc1N1CCN(Cn2nc(oc2=S)-c2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C22H24N4O4S/c1-27-18-5-3-2-4-17(18)25-10-8-24(9-11-25)15-26-22(31)30-21(23-26)16-6-7-19-20(14-16)29-13-12-28-19/h2-7,14H,8-13,15H2,1H3 | 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 | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase |
Bioorg Med Chem 25: 2593-2600 (2017)
Article DOI: 10.1016/j.bmc.2017.03.038
BindingDB Entry DOI: 10.7270/Q2XP772B |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50240200
(CHEMBL4084931)Show SMILES S=c1oc(nn1CN1CCN(Cc2ccccc2)CC1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C22H24N4O3S/c30-22-26(16-25-10-8-24(9-11-25)15-17-4-2-1-3-5-17)23-21(29-22)18-6-7-19-20(14-18)28-13-12-27-19/h1-7,14H,8-13,15-16H2 | 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 | 1.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) by enzyme immuno assay |
Bioorg Med Chem 25: 2593-2600 (2017)
Article DOI: 10.1016/j.bmc.2017.03.038
BindingDB Entry DOI: 10.7270/Q2XP772B |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50240197
(CHEMBL4068745)Show SMILES S=c1oc(nn1CN1CCN(CC1)c1ccccn1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C20H21N5O3S/c29-20-25(14-23-7-9-24(10-8-23)18-3-1-2-6-21-18)22-19(28-20)15-4-5-16-17(13-15)27-12-11-26-16/h1-6,13H,7-12,14H2 | 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 | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase |
Bioorg Med Chem 25: 2593-2600 (2017)
Article DOI: 10.1016/j.bmc.2017.03.038
BindingDB Entry DOI: 10.7270/Q2XP772B |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50240194
(CHEMBL4092157)Show SMILES COc1ccc(cc1)N1CCN(Cn2nc(oc2=S)-c2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C22H24N4O4S/c1-27-18-5-3-17(4-6-18)25-10-8-24(9-11-25)15-26-22(31)30-21(23-26)16-2-7-19-20(14-16)29-13-12-28-19/h2-7,14H,8-13,15H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase |
Bioorg Med Chem 25: 2593-2600 (2017)
Article DOI: 10.1016/j.bmc.2017.03.038
BindingDB Entry DOI: 10.7270/Q2XP772B |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50240199
(CHEMBL4074665)Show SMILES COc1cccc(c1)N1CCN(Cn2nc(oc2=S)-c2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C22H24N4O4S/c1-27-18-4-2-3-17(14-18)25-9-7-24(8-10-25)15-26-22(31)30-21(23-26)16-5-6-19-20(13-16)29-12-11-28-19/h2-6,13-14H,7-12,15H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined |
Bioorg Med Chem 25: 2593-2600 (2017)
Article DOI: 10.1016/j.bmc.2017.03.038
BindingDB Entry DOI: 10.7270/Q2XP772B |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50240201
(CHEMBL4094621)Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(Cn2nc(oc2=S)-c2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C21H21N5O5S/c27-26(28)17-4-2-16(3-5-17)24-9-7-23(8-10-24)14-25-21(32)31-20(22-25)15-1-6-18-19(13-15)30-12-11-29-18/h1-6,13H,7-12,14H2 | 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 | 2.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined |
Bioorg Med Chem 25: 2593-2600 (2017)
Article DOI: 10.1016/j.bmc.2017.03.038
BindingDB Entry DOI: 10.7270/Q2XP772B |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50240203
(CHEMBL4095124)Show SMILES Clc1ccc(cc1Cl)N1CCN(Cn2nc(oc2=S)-c2ccc3OCCOc3c2)CC1 Show InChI InChI=1S/C21H20Cl2N4O3S/c22-16-3-2-15(12-17(16)23)26-7-5-25(6-8-26)13-27-21(31)30-20(24-27)14-1-4-18-19(11-14)29-10-9-28-18/h1-4,11-12H,5-10,13H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of FAK (unknown origin) by enzyme immuno assay |
Bioorg Med Chem 25: 2593-2600 (2017)
Article DOI: 10.1016/j.bmc.2017.03.038
BindingDB Entry DOI: 10.7270/Q2XP772B |
More data for this
Ligand-Target Pair | |
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