Found 77 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)) | BDBM50184049
(3-(6-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCC(O)=O)n4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C23H23N5O5/c1-31-17-11-16(12-18(32-2)21(17)33-3)26-23-24-13-14-9-10-28(22(14)27-23)19-6-4-5-15(25-19)7-8-20(29)30/h4-6,9-13H,7-8H2,1-3H3,(H,29,30)(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183986
(CHEMBL207084 | N-(2-aminoethyl)-3-(2-(3,4,5-trimet...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCN)c3n2)cc(OC)c1OC Show InChI InChI=1S/C24H26N6O4/c1-32-19-12-17(13-20(33-2)21(19)34-3)28-24-27-14-16-7-10-30(22(16)29-24)18-6-4-5-15(11-18)23(31)26-9-8-25/h4-7,10-14H,8-9,25H2,1-3H3,(H,26,31)(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183989
(3-(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCC(O)=O)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C24H24N4O5/c1-31-19-12-17(13-20(32-2)22(19)33-3)26-24-25-14-16-9-10-28(23(16)27-24)18-6-4-5-15(11-18)7-8-21(29)30/h4-6,9-14H,7-8H2,1-3H3,(H,29,30)(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184028
(2-(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CC(O)=O)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C23H22N4O5/c1-30-18-11-16(12-19(31-2)21(18)32-3)25-23-24-13-15-7-8-27(22(15)26-23)17-6-4-5-14(9-17)10-20(28)29/h4-9,11-13H,10H2,1-3H3,(H,28,29)(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184019
(CHEMBL379837 | N-(2-(dimethylamino)ethyl)-3-(2-(3,...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCN(C)C)c3n2)cc(OC)c1OC Show InChI InChI=1S/C26H30N6O4/c1-31(2)12-10-27-25(33)17-7-6-8-20(13-17)32-11-9-18-16-28-26(30-24(18)32)29-19-14-21(34-3)23(36-5)22(15-19)35-4/h6-9,11,13-16H,10,12H2,1-5H3,(H,27,33)(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184034
(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(O)=O)c3n2)cc(OC)c1OC Show InChI InChI=1S/C22H20N4O5/c1-29-17-10-15(11-18(30-2)19(17)31-3)24-22-23-12-14-7-8-26(20(14)25-22)16-6-4-5-13(9-16)21(27)28/h4-12H,1-3H3,(H,27,28)(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184002
(CHEMBL207961 | N-(3-(dimethylamino)propyl)-3-(2-(3...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCCN(C)C)c3n2)cc(OC)c1OC Show InChI InChI=1S/C27H32N6O4/c1-32(2)12-7-11-28-26(34)18-8-6-9-21(14-18)33-13-10-19-17-29-27(31-25(19)33)30-20-15-22(35-3)24(37-5)23(16-20)36-4/h6,8-10,13-17H,7,11-12H2,1-5H3,(H,28,34)(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184000
(2-(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CC#N)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C23H21N5O3/c1-29-19-12-17(13-20(30-2)21(19)31-3)26-23-25-14-16-8-10-28(22(16)27-23)18-6-4-5-15(11-18)7-9-24/h4-6,8,10-14H,7H2,1-3H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184035
(CHEMBL207499 | N-isobutyl-3-(3-(2-(3,4,5-trimethox...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)NCC(C)C)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C28H33N5O4/c1-18(2)16-29-25(34)10-9-19-7-6-8-22(13-19)33-12-11-20-17-30-28(32-27(20)33)31-21-14-23(35-3)26(37-5)24(15-21)36-4/h6-8,11-15,17-18H,9-10,16H2,1-5H3,(H,29,34)(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183979
(CHEMBL377708 | N-(2-(pyrrolidin-1-yl)ethyl)-3-(2-(...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCN4CCCC4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C28H32N6O4/c1-36-23-16-21(17-24(37-2)25(23)38-3)31-28-30-18-20-9-13-34(26(20)32-28)22-8-6-7-19(15-22)27(35)29-10-14-33-11-4-5-12-33/h6-9,13,15-18H,4-5,10-12,14H2,1-3H3,(H,29,35)(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184020
(3-(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCC#N)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C24H23N5O3/c1-30-20-13-18(14-21(31-2)22(20)32-3)27-24-26-15-17-9-11-29(23(17)28-24)19-8-4-6-16(12-19)7-5-10-25/h4,6,8-9,11-15H,5,7H2,1-3H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184043
(7-(3-(2H-tetrazol-5-yl)phenyl)-N-(3,4,5-trimethoxy...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)-c4nnn[nH]4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C22H20N8O3/c1-31-17-10-15(11-18(32-2)19(17)33-3)24-22-23-12-14-7-8-30(21(14)25-22)16-6-4-5-13(9-16)20-26-28-29-27-20/h4-12H,1-3H3,(H,23,24,25)(H,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184005
(CHEMBL439154 | N-cyclopropyl-2-(3-(2-(3,4,5-trimet...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NC5CC5)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C26H27N5O4/c1-33-21-13-19(14-22(34-2)24(21)35-3)29-26-27-15-17-9-10-31(25(17)30-26)20-6-4-5-16(11-20)12-23(32)28-18-7-8-18/h4-6,9-11,13-15,18H,7-8,12H2,1-3H3,(H,28,32)(H,27,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183980
(7-(3-(2-(2H-tetrazol-5-yl)ethyl)phenyl)-N-(3,4,5-t...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCc5nnn[nH]5)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C24H24N8O3/c1-33-19-12-17(13-20(34-2)22(19)35-3)26-24-25-14-16-9-10-32(23(16)27-24)18-6-4-5-15(11-18)7-8-21-28-30-31-29-21/h4-6,9-14H,7-8H2,1-3H3,(H,25,26,27)(H,28,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184003
(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C#N)c3n2)cc(OC)c1OC Show InChI InChI=1S/C22H19N5O3/c1-28-18-10-16(11-19(29-2)20(18)30-3)25-22-24-13-15-7-8-27(21(15)26-22)17-6-4-5-14(9-17)12-23/h4-11,13H,1-3H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184036
(CHEMBL208370 | N-(2-aminoethyl)-6-(2-(3,4,5-trimet...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(n4)C(=O)NCCN)c3n2)cc(OC)c1OC Show InChI InChI=1S/C23H25N7O4/c1-32-17-11-15(12-18(33-2)20(17)34-3)27-23-26-13-14-7-10-30(21(14)29-23)19-6-4-5-16(28-19)22(31)25-9-8-24/h4-7,10-13H,8-9,24H2,1-3H3,(H,25,31)(H,26,27,29) | 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 | 182 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50182010
(7-(pyridin-2-yl)-N-(2,4,6-trimethoxyphenyl)-7H-pyr...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C20H19N5O3/c1-26-15-10-14(11-16(27-2)18(15)28-3)23-20-22-12-13-7-9-25(19(13)24-20)17-6-4-5-8-21-17/h4-12H,1-3H3,(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184037
(7-m-tolyl-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(C)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C22H22N4O3/c1-14-6-5-7-17(10-14)26-9-8-15-13-23-22(25-21(15)26)24-16-11-18(27-2)20(29-4)19(12-16)28-3/h5-13H,1-4H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 221 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184047
(7-(3-((2H-tetrazol-5-yl)methyl)phenyl)-N-(3,4,5-tr...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(Cc5nnn[nH]5)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C23H22N8O3/c1-32-18-11-16(12-19(33-2)21(18)34-3)25-23-24-13-15-7-8-31(22(15)26-23)17-6-4-5-14(9-17)10-20-27-29-30-28-20/h4-9,11-13H,10H2,1-3H3,(H,24,25,26)(H,27,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 232 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184041
(7-(3-(trifluoromethyl)phenyl)-N-(3,4,5-trimethoxyp...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(F)(F)F)c3n2)cc(OC)c1OC Show InChI InChI=1S/C22H19F3N4O3/c1-30-17-10-15(11-18(31-2)19(17)32-3)27-21-26-12-13-7-8-29(20(13)28-21)16-6-4-5-14(9-16)22(23,24)25/h4-12H,1-3H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 235 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184018
(CHEMBL204686 | N-(2-(dimethylamino)ethyl)-3-(3-(2-...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)NCCN(C)C)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C28H34N6O4/c1-33(2)14-12-29-25(35)10-9-19-7-6-8-22(15-19)34-13-11-20-18-30-28(32-27(20)34)31-21-16-23(36-3)26(38-5)24(17-21)37-4/h6-8,11,13,15-18H,9-10,12,14H2,1-5H3,(H,29,35)(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 236 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183995
(CHEMBL380312 | N-(2-cyanoethyl)-6-(2-(3,4,5-trimet...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(n4)C(=O)NCCC#N)c3n2)cc(OC)c1OC Show InChI InChI=1S/C24H23N7O4/c1-33-18-12-16(13-19(34-2)21(18)35-3)28-24-27-14-15-8-11-31(22(15)30-24)20-7-4-6-17(29-20)23(32)26-10-5-9-25/h4,6-8,11-14H,5,10H2,1-3H3,(H,26,32)(H,27,28,30) | 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 | 242 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183984
(CHEMBL380515 | N-methyl-3-(2-(3,4,5-trimethoxyphen...)Show SMILES CNC(=O)c1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C23H23N5O4/c1-24-22(29)14-6-5-7-17(10-14)28-9-8-15-13-25-23(27-21(15)28)26-16-11-18(30-2)20(32-4)19(12-16)31-3/h5-13H,1-4H3,(H,24,29)(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 262 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184050
(CHEMBL380226 | N-(cyanomethyl)-6-(2-(3,4,5-trimeth...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(n4)C(=O)NCC#N)c3n2)cc(OC)c1OC Show InChI InChI=1S/C23H21N7O4/c1-32-17-11-15(12-18(33-2)20(17)34-3)27-23-26-13-14-7-10-30(21(14)29-23)19-6-4-5-16(28-19)22(31)25-9-8-24/h4-7,10-13H,9H2,1-3H3,(H,25,31)(H,26,27,29) | 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 | 278 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183981
(CHEMBL207444 | N-(2-acetamidoethyl)-3-(2-(3,4,5-tr...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCNC(C)=O)c3n2)cc(OC)c1OC Show InChI InChI=1S/C26H28N6O5/c1-16(33)27-9-10-28-25(34)17-6-5-7-20(12-17)32-11-8-18-15-29-26(31-24(18)32)30-19-13-21(35-2)23(37-4)22(14-19)36-3/h5-8,11-15H,9-10H2,1-4H3,(H,27,33)(H,28,34)(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 298 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183983
(CHEMBL380683 | methyl 2-(2-(3,4,5-trimethoxyphenyl...)Show SMILES COC(=O)c1ccccc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C23H22N4O5/c1-29-18-11-15(12-19(30-2)20(18)31-3)25-23-24-13-14-9-10-27(21(14)26-23)17-8-6-5-7-16(17)22(28)32-4/h5-13H,1-4H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 314 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184025
(CHEMBL208468 | N-cyclopropyl-3-(2-(3,4,5-trimethox...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NC4CC4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C25H25N5O4/c1-32-20-12-18(13-21(33-2)22(20)34-3)28-25-26-14-16-9-10-30(23(16)29-25)19-6-4-5-15(11-19)24(31)27-17-7-8-17/h4-6,9-14,17H,7-8H2,1-3H3,(H,27,31)(H,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 322 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184039
(CHEMBL207126 | N-methyl-3-(3-(2-(3,4,5-trimethoxyp...)Show SMILES CNC(=O)CCc1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C25H27N5O4/c1-26-22(31)9-8-16-6-5-7-19(12-16)30-11-10-17-15-27-25(29-24(17)30)28-18-13-20(32-2)23(34-4)21(14-18)33-3/h5-7,10-15H,8-9H2,1-4H3,(H,26,31)(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 331 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183987
(CHEMBL382192 | methyl 2-(3-(3-(2-(3,4,5-trimethoxy...)Show SMILES COC(=O)CNC(=O)CCc1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C27H29N5O6/c1-35-21-13-19(14-22(36-2)25(21)38-4)30-27-29-15-18-10-11-32(26(18)31-27)20-7-5-6-17(12-20)8-9-23(33)28-16-24(34)37-3/h5-7,10-15H,8-9,16H2,1-4H3,(H,28,33)(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 339 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184021
(CHEMBL208939 | N-methyl-2-(2-(3,4,5-trimethoxyphen...)Show SMILES CNC(=O)c1ccccc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C23H23N5O4/c1-24-22(29)16-7-5-6-8-17(16)28-10-9-14-13-25-23(27-21(14)28)26-15-11-18(30-2)20(32-4)19(12-15)31-3/h5-13H,1-4H3,(H,24,29)(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 342 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184013
(CHEMBL207259 | N-ethyl-3-(3-(2-(3,4,5-trimethoxyph...)Show SMILES CCNC(=O)CCc1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C26H29N5O4/c1-5-27-23(32)10-9-17-7-6-8-20(13-17)31-12-11-18-16-28-26(30-25(18)31)29-19-14-21(33-2)24(35-4)22(15-19)34-3/h6-8,11-16H,5,9-10H2,1-4H3,(H,27,32)(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 345 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183991
(CHEMBL378661 | N-ethyl-3-(2-(3,4,5-trimethoxypheny...)Show SMILES CCNC(=O)c1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C24H25N5O4/c1-5-25-23(30)15-7-6-8-18(11-15)29-10-9-16-14-26-24(28-22(16)29)27-17-12-19(31-2)21(33-4)20(13-17)32-3/h6-14H,5H2,1-4H3,(H,25,30)(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 365 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184023
(CHEMBL208384 | N-(3-aminopropyl)-6-(2-(3,4,5-trime...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(n4)C(=O)NCCCN)c3n2)cc(OC)c1OC Show InChI InChI=1S/C24H27N7O4/c1-33-18-12-16(13-19(34-2)21(18)35-3)28-24-27-14-15-8-11-31(22(15)30-24)20-7-4-6-17(29-20)23(32)26-10-5-9-25/h4,6-8,11-14H,5,9-10,25H2,1-3H3,(H,26,32)(H,27,28,30) | 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 | 397 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183998
(CHEMBL207721 | N-ethyl-2-(3-(2-(3,4,5-trimethoxyph...)Show SMILES CCNC(=O)Cc1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C25H27N5O4/c1-5-26-22(31)12-16-7-6-8-19(11-16)30-10-9-17-15-27-25(29-24(17)30)28-18-13-20(32-2)23(34-4)21(14-18)33-3/h6-11,13-15H,5,12H2,1-4H3,(H,26,31)(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 421 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184033
(CHEMBL379279 | N-(2-hydroxyethyl)-3-(2-(3,4,5-trim...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCO)c3n2)cc(OC)c1OC Show InChI InChI=1S/C24H25N5O5/c1-32-19-12-17(13-20(33-2)21(19)34-3)27-24-26-14-16-7-9-29(22(16)28-24)18-6-4-5-15(11-18)23(31)25-8-10-30/h4-7,9,11-14,30H,8,10H2,1-3H3,(H,25,31)(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 434 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184027
(2-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccc4C#N)c3n2)cc(OC)c1OC Show InChI InChI=1S/C22H19N5O3/c1-28-18-10-16(11-19(29-2)20(18)30-3)25-22-24-13-15-8-9-27(21(15)26-22)17-7-5-4-6-14(17)12-23/h4-11,13H,1-3H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 504 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183977
(7-p-tolyl-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccc(C)cc4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C22H22N4O3/c1-14-5-7-17(8-6-14)26-10-9-15-13-23-22(25-21(15)26)24-16-11-18(27-2)20(29-4)19(12-16)28-3/h5-13H,1-4H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 507 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184038
(CHEMBL206927 | methyl 2-(2-(2-(3,4,5-trimethoxyphe...)Show SMILES COC(=O)CNC(=O)c1cccc(n1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C24H24N6O6/c1-33-17-10-15(11-18(34-2)21(17)36-4)27-24-26-12-14-8-9-30(22(14)29-24)19-7-5-6-16(28-19)23(32)25-13-20(31)35-3/h5-12H,13H2,1-4H3,(H,25,32)(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 544 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184046
(CHEMBL425418 | N-(2-(dimethylamino)ethyl)-6-(2-(3,...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(n4)C(=O)NCCN(C)C)c3n2)cc(OC)c1OC Show InChI InChI=1S/C25H29N7O4/c1-31(2)12-10-26-24(33)18-7-6-8-21(29-18)32-11-9-16-15-27-25(30-23(16)32)28-17-13-19(34-3)22(36-5)20(14-17)35-4/h6-9,11,13-15H,10,12H2,1-5H3,(H,26,33)(H,27,28,30) | 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 | 634 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183976
(CHEMBL207232 | methyl 2-(2-(3-(2-(3,4,5-trimethoxy...)Show SMILES COC(=O)CNC(=O)Cc1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C26H27N5O6/c1-34-20-12-18(13-21(35-2)24(20)37-4)29-26-28-14-17-8-9-31(25(17)30-26)19-7-5-6-16(10-19)11-22(32)27-15-23(33)36-3/h5-10,12-14H,11,15H2,1-4H3,(H,27,32)(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 635 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183978
(CHEMBL207834 | N-(2-aminoethyl)-2-(3-(2-(3,4,5-tri...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCCN)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C25H28N6O4/c1-33-20-13-18(14-21(34-2)23(20)35-3)29-25-28-15-17-7-10-31(24(17)30-25)19-6-4-5-16(11-19)12-22(32)27-9-8-26/h4-7,10-11,13-15H,8-9,12,26H2,1-3H3,(H,27,32)(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 727 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184016
((2-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccc4CO)c3n2)cc(OC)c1OC Show InChI InChI=1S/C22H22N4O4/c1-28-18-10-16(11-19(29-2)20(18)30-3)24-22-23-12-14-8-9-26(21(14)25-22)17-7-5-4-6-15(17)13-27/h4-12,27H,13H2,1-3H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 727 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184006
(7-(4-(methylthio)phenyl)-N-(3,4,5-trimethoxyphenyl...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccc(SC)cc4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C22H22N4O3S/c1-27-18-11-15(12-19(28-2)20(18)29-3)24-22-23-13-14-9-10-26(21(14)25-22)16-5-7-17(30-4)8-6-16/h5-13H,1-4H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 831 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184029
(CHEMBL380424 | N-(3-hydroxypropyl)-3-(2-(3,4,5-tri...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCCO)c3n2)cc(OC)c1OC Show InChI InChI=1S/C25H27N5O5/c1-33-20-13-18(14-21(34-2)22(20)35-3)28-25-27-15-17-8-10-30(23(17)29-25)19-7-4-6-16(12-19)24(32)26-9-5-11-31/h4,6-8,10,12-15,31H,5,9,11H2,1-3H3,(H,26,32)(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 882 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184042
(CHEMBL208000 | N-(4-(dimethylamino)butyl)-3-(2-(3,...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCCCN(C)C)c3n2)cc(OC)c1OC Show InChI InChI=1S/C28H34N6O4/c1-33(2)13-7-6-12-29-27(35)19-9-8-10-22(15-19)34-14-11-20-18-30-28(32-26(20)34)31-21-16-23(36-3)25(38-5)24(17-21)37-4/h8-11,14-18H,6-7,12-13H2,1-5H3,(H,29,35)(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 983 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184031
(CHEMBL379969 | N-(3-aminopropyl)-2-(3-(2-(3,4,5-tr...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCCCN)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C26H30N6O4/c1-34-21-14-19(15-22(35-2)24(21)36-3)30-26-29-16-18-8-11-32(25(18)31-26)20-7-4-6-17(12-20)13-23(33)28-10-5-9-27/h4,6-8,11-12,14-16H,5,9-10,13,27H2,1-3H3,(H,28,33)(H,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184012
(CHEMBL381374 | methyl 3-(2-(3,4,5-trimethoxyphenyl...)Show SMILES COC(=O)c1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C23H22N4O5/c1-29-18-11-16(12-19(30-2)20(18)31-3)25-23-24-13-15-8-9-27(21(15)26-23)17-7-5-6-14(10-17)22(28)32-4/h5-13H,1-4H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184030
(7-(4-(trifluoromethyl)phenyl)-N-(3,4,5-trimethoxyp...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccc(cc4)C(F)(F)F)c3n2)cc(OC)c1OC Show InChI InChI=1S/C22H19F3N4O3/c1-30-17-10-15(11-18(31-2)19(17)32-3)27-21-26-12-13-8-9-29(20(13)28-21)16-6-4-14(5-7-16)22(23,24)25/h4-12H,1-3H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183994
(7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)-7H-py...)Show SMILES CCc1ccc(cc1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C23H24N4O3/c1-5-15-6-8-18(9-7-15)27-11-10-16-14-24-23(26-22(16)27)25-17-12-19(28-2)21(30-4)20(13-17)29-3/h6-14H,5H2,1-4H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183985
(CHEMBL383263 | N-methyl-2-(3-(2-(3,4,5-trimethoxyp...)Show SMILES CNC(=O)Cc1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C24H25N5O4/c1-25-21(30)11-15-6-5-7-18(10-15)29-9-8-16-14-26-24(28-23(16)29)27-17-12-19(31-2)22(33-4)20(13-17)32-3/h5-10,12-14H,11H2,1-4H3,(H,25,30)(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184024
(CHEMBL207615 | N-methyl-3-(2-(3,4,5-trimethoxyphen...)Show SMILES CNS(=O)(=O)c1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C22H23N5O5S/c1-23-33(28,29)17-7-5-6-16(12-17)27-9-8-14-13-24-22(26-21(14)27)25-15-10-18(30-2)20(32-4)19(11-15)31-3/h5-13,23H,1-4H3,(H,24,25,26) | 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 | 2.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184048
(7-o-tolyl-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccc4C)c3n2)cc(OC)c1OC Show InChI InChI=1S/C22H22N4O3/c1-14-7-5-6-8-17(14)26-10-9-15-13-23-22(25-21(15)26)24-16-11-18(27-2)20(29-4)19(12-16)28-3/h5-13H,1-4H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184022
(2-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccc4C(O)=O)c3n2)cc(OC)c1OC Show InChI InChI=1S/C22H20N4O5/c1-29-17-10-14(11-18(30-2)19(17)31-3)24-22-23-12-13-8-9-26(20(13)25-22)16-7-5-4-6-15(16)21(27)28/h4-12H,1-3H3,(H,27,28)(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183988
(4-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccc(cc4)C(O)=O)c3n2)cc(OC)c1OC Show InChI InChI=1S/C22H20N4O5/c1-29-17-10-15(11-18(30-2)19(17)31-3)24-22-23-12-14-8-9-26(20(14)25-22)16-6-4-13(5-7-16)21(27)28/h4-12H,1-3H3,(H,27,28)(H,23,24,25) | 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 | 2.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184014
(7-(4-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)-7H-py...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccc(cc4)[N+]([O-])=O)c3n2)cc(OC)c1OC Show InChI InChI=1S/C21H19N5O5/c1-29-17-10-14(11-18(30-2)19(17)31-3)23-21-22-12-13-8-9-25(20(13)24-21)15-4-6-16(7-5-15)26(27)28/h4-12H,1-3H3,(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183993
(CHEMBL208322 | N-propyl-2-(2-(3,4,5-trimethoxyphen...)Show SMILES CCCNS(=O)(=O)c1ccccc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C24H27N5O5S/c1-5-11-26-35(30,31)21-9-7-6-8-18(21)29-12-10-16-15-25-24(28-23(16)29)27-17-13-19(32-2)22(34-4)20(14-17)33-3/h6-10,12-15,26H,5,11H2,1-4H3,(H,25,27,28) | 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 | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184001
(7-(2-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)-7H-py...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccc4[N+]([O-])=O)c3n2)cc(OC)c1OC Show InChI InChI=1S/C21H19N5O5/c1-29-17-10-14(11-18(30-2)19(17)31-3)23-21-22-12-13-8-9-25(20(13)24-21)15-6-4-5-7-16(15)26(27)28/h4-12H,1-3H3,(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184010
(CHEMBL206978 | N-cyclopentyl-3-(2-(3,4,5-trimethox...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NC4CCCC4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C27H29N5O4/c1-34-22-14-20(15-23(35-2)24(22)36-3)30-27-28-16-18-11-12-32(25(18)31-27)21-10-6-7-17(13-21)26(33)29-19-8-4-5-9-19/h6-7,10-16,19H,4-5,8-9H2,1-3H3,(H,29,33)(H,28,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184011
(CHEMBL206977 | N-isobutyl-3-(2-(3,4,5-trimethoxyph...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCC(C)C)c3n2)cc(OC)c1OC Show InChI InChI=1S/C26H29N5O4/c1-16(2)14-27-25(32)17-7-6-8-20(11-17)31-10-9-18-15-28-26(30-24(18)31)29-19-12-21(33-3)23(35-5)22(13-19)34-4/h6-13,15-16H,14H2,1-5H3,(H,27,32)(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184015
(7-(4-butylphenyl)-N-(3,4,5-trimethoxyphenyl)-7H-py...)Show SMILES CCCCc1ccc(cc1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C25H28N4O3/c1-5-6-7-17-8-10-20(11-9-17)29-13-12-18-16-26-25(28-24(18)29)27-19-14-21(30-2)23(32-4)22(15-19)31-3/h8-16H,5-7H2,1-4H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183996
(CHEMBL205095 | N-cyclopentyl-2-(3-(2-(3,4,5-trimet...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NC5CCCC5)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C28H31N5O4/c1-35-23-15-21(16-24(36-2)26(23)37-3)31-28-29-17-19-11-12-33(27(19)32-28)22-10-6-7-18(13-22)14-25(34)30-20-8-4-5-9-20/h6-7,10-13,15-17,20H,4-5,8-9,14H2,1-3H3,(H,30,34)(H,29,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184044
(CHEMBL206890 | methyl 4-(2-(3,4,5-trimethoxyphenyl...)Show SMILES COC(=O)c1ccc(cc1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C23H22N4O5/c1-29-18-11-16(12-19(30-2)20(18)31-3)25-23-24-13-15-9-10-27(21(15)26-23)17-7-5-14(6-8-17)22(28)32-4/h5-13H,1-4H3,(H,24,25,26) | 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 | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184008
(7-(4-tert-butylphenyl)-N-(3,4,5-trimethoxyphenyl)-...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccc(cc4)C(C)(C)C)c3n2)cc(OC)c1OC Show InChI InChI=1S/C25H28N4O3/c1-25(2,3)17-7-9-19(10-8-17)29-12-11-16-15-26-24(28-23(16)29)27-18-13-20(30-4)22(32-6)21(14-18)31-5/h7-15H,1-6H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184009
(CHEMBL205584 | N-methyl-6-(2-(3,4,5-trimethoxyphen...)Show SMILES CNC(=O)c1cccc(n1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C22H22N6O4/c1-23-21(29)15-6-5-7-18(26-15)28-9-8-13-12-24-22(27-20(13)28)25-14-10-16(30-2)19(32-4)17(11-14)31-3/h5-12H,1-4H3,(H,23,29)(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184032
(7-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)-7H-py...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(N)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C21H21N5O3/c1-27-17-10-15(11-18(28-2)19(17)29-3)24-21-23-12-13-7-8-26(20(13)25-21)16-6-4-5-14(22)9-16/h4-12H,22H2,1-3H3,(H,23,24,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183999
(CHEMBL207904 | N-(3-(dimethylamino)propyl)-2-(2-(3...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccc4C(=O)NCCCN(C)C)c3n2)cc(OC)c1OC Show InChI InChI=1S/C27H32N6O4/c1-32(2)13-8-12-28-26(34)20-9-6-7-10-21(20)33-14-11-18-17-29-27(31-25(18)33)30-19-15-22(35-3)24(37-5)23(16-19)36-4/h6-7,9-11,14-17H,8,12-13H2,1-5H3,(H,28,34)(H,29,30,31) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184040
(CHEMBL208392 | N-(3-(dimethylamino)propyl)-2-(3-(2...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCCCN(C)C)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C28H34N6O4/c1-33(2)12-7-11-29-25(35)15-19-8-6-9-22(14-19)34-13-10-20-18-30-28(32-27(20)34)31-21-16-23(36-3)26(38-5)24(17-21)37-4/h6,8-10,13-14,16-18H,7,11-12,15H2,1-5H3,(H,29,35)(H,30,31,32) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184051
(CHEMBL383460 | methyl 7-(pyridin-2-yl)-2-(3,4,5-tr...)Show SMILES COC(=O)c1cc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc2n1-c1ccccn1 Show InChI InChI=1S/C22H21N5O5/c1-29-16-10-14(11-17(30-2)19(16)31-3)25-22-24-12-13-9-15(21(28)32-4)27(20(13)26-22)18-7-5-6-8-23-18/h5-12H,1-4H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184004
(7-(2-aminophenyl)-N-(3,4,5-trimethoxyphenyl)-7H-py...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccc4N)c3n2)cc(OC)c1OC Show InChI InChI=1S/C21H21N5O3/c1-27-17-10-14(11-18(28-2)19(17)29-3)24-21-23-12-13-8-9-26(20(13)25-21)16-7-5-4-6-15(16)22/h4-12H,22H2,1-3H3,(H,23,24,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184026
(2-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccc4C(N)=O)c3n2)cc(OC)c1OC Show InChI InChI=1S/C22H21N5O4/c1-29-17-10-14(11-18(30-2)19(17)31-3)25-22-24-12-13-8-9-27(21(13)26-22)16-7-5-4-6-15(16)20(23)28/h4-12H,1-3H3,(H2,23,28)(H,24,25,26) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184007
(CHEMBL204613 | N-isobutyl-6-(2-(3,4,5-trimethoxyph...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(n4)C(=O)NCC(C)C)c3n2)cc(OC)c1OC Show InChI InChI=1S/C25H28N6O4/c1-15(2)13-26-24(32)18-7-6-8-21(29-18)31-10-9-16-14-27-25(30-23(16)31)28-17-11-19(33-3)22(35-5)20(12-17)34-4/h6-12,14-15H,13H2,1-5H3,(H,26,32)(H,27,28,30) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184017
(CHEMBL378451 | N-(2-(2-(3,4,5-trimethoxyphenylamin...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccc4NC(C)=O)c3n2)cc(OC)c1OC Show InChI InChI=1S/C23H23N5O4/c1-14(29)25-17-7-5-6-8-18(17)28-10-9-15-13-24-23(27-22(15)28)26-16-11-19(30-2)21(32-4)20(12-16)31-3/h5-13H,1-4H3,(H,25,29)(H,24,26,27) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183982
(7-(3-(aminomethyl)phenyl)-N-(3,4,5-trimethoxypheny...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CN)c4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C22H23N5O3/c1-28-18-10-16(11-19(29-2)20(18)30-3)25-22-24-13-15-7-8-27(21(15)26-22)17-6-4-5-14(9-17)12-23/h4-11,13H,12,23H2,1-3H3,(H,24,25,26) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183990
(7-(2-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)-7H-py...)Show SMILES CCc1ccccc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12 Show InChI InChI=1S/C23H24N4O3/c1-5-15-8-6-7-9-18(15)27-11-10-16-14-24-23(26-22(16)27)25-17-12-19(28-2)21(30-4)20(13-17)29-3/h6-14H,5H2,1-4H3,(H,24,25,26) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183992
(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-...)Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(N)=O)c3n2)cc(OC)c1OC Show InChI InChI=1S/C22H21N5O4/c1-29-17-10-15(11-18(30-2)19(17)31-3)25-22-24-12-14-7-8-27(21(14)26-22)16-6-4-5-13(9-16)20(23)28/h4-12H,1-3H3,(H2,23,28)(H,24,25,26) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50183997
(CHEMBL379748 | N-(2-aminoethyl)-2-(2-(3,4,5-trimet...)Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccc4C(=O)NCCN)c3n2)cc(OC)c1OC Show InChI InChI=1S/C24H26N6O4/c1-32-19-12-16(13-20(33-2)21(19)34-3)28-24-27-14-15-8-11-30(22(15)29-24)18-7-5-4-6-17(18)23(31)26-10-9-25/h4-8,11-14H,9-10,25H2,1-3H3,(H,26,31)(H,27,28,29) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50184045
(7-(pyridin-2-yl)-2-(3,4,5-trimethoxyphenylamino)-7...)Show SMILES COc1cc(Nc2ncc3cc(C(O)=O)n(-c4ccccn4)c3n2)cc(OC)c1OC Show InChI InChI=1S/C21H19N5O5/c1-29-15-9-13(10-16(30-2)18(15)31-3)24-21-23-11-12-8-14(20(27)28)26(19(12)25-21)17-6-4-5-7-22-17/h4-11H,1-3H3,(H,27,28)(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation (GNF)
Curated by ChEMBL
| Assay Description
Inhibition of FAK |
Bioorg Med Chem Lett 16: 2689-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0 |
More data for this
Ligand-Target Pair | |
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