new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 186 hits with Last Name = 'matsuura' and Initial = 'n'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cathepsin K


(Homo sapiens (Human))
BDBM50223914
PNG
(6-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-7-neo...)
Show SMILES CC(C)(C)Cn1c(CN2CCN(CC2)c2ccc(F)cc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C23H27FN6/c1-23(2,3)16-30-20(12-17-14-26-21(13-25)27-22(17)30)15-28-8-10-29(11-9-28)19-6-4-18(24)5-7-19/h4-7,12,14H,8-11,15-16H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223939
PNG
(6-(4-methoxybenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]p...)
Show SMILES COc1ccc(Cc2cc3cnc(nc3n2CC(C)(C)C)C#N)cc1
Show InChI InChI=1S/C20H22N4O/c1-20(2,3)13-24-16(9-14-5-7-17(25-4)8-6-14)10-15-12-22-18(11-21)23-19(15)24/h5-8,10,12H,9,13H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223935
PNG
(CHEMBL399842 | N-(4-((2-cyano-7-neopentyl-7H-pyrro...)
Show SMILES CC(C)(C)Cn1c(Cc2ccc(NS(=O)(=O)CC(F)(F)F)cc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C21H22F3N5O2S/c1-20(2,3)12-29-17(9-15-11-26-18(10-25)27-19(15)29)8-14-4-6-16(7-5-14)28-32(30,31)13-21(22,23)24/h4-7,9,11,28H,8,12-13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223921
PNG
(6-(4-(benzo[d][1,3]dioxol-5-yl)benzyl)-7-neopentyl...)
Show SMILES CC(C)(C)Cn1c(Cc2ccc(cc2)-c2ccc3OCOc3c2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C26H24N4O2/c1-26(2,3)15-30-21(11-20-14-28-24(13-27)29-25(20)30)10-17-4-6-18(7-5-17)19-8-9-22-23(12-19)32-16-31-22/h4-9,11-12,14H,10,15-16H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223915
PNG
(6-benzyl-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2...)
Show SMILES CC(C)(C)Cn1c(Cc2ccccc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C19H20N4/c1-19(2,3)13-23-16(9-14-7-5-4-6-8-14)10-15-12-21-17(11-20)22-18(15)23/h4-8,10,12H,9,13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223925
PNG
(6-(4-((4-methylpiperazin-1-yl)methyl)benzyl)-7-cyc...)
Show SMILES CN1CCN(Cc2ccc(Cc3cc4cnc(nc4n3C3CCCCC3)C#N)cc2)CC1
Show InChI InChI=1S/C26H32N6/c1-30-11-13-31(14-12-30)19-21-9-7-20(8-10-21)15-24-16-22-18-28-25(17-27)29-26(22)32(24)23-5-3-2-4-6-23/h7-10,16,18,23H,2-6,11-15,19H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223919
PNG
(7-(2,2-dimethylpropyl)-6-[(5-fluoro-2-oxospiro[ind...)
Show SMILES CC(C)(C)Cn1c(CN2C(=O)C3(CCNCC3)c3cc(F)ccc23)cc2cnc(nc12)C#N
Show InChI InChI=1S/C25H27FN6O/c1-24(2,3)15-32-18(10-16-13-29-21(12-27)30-22(16)32)14-31-20-5-4-17(26)11-19(20)25(23(31)33)6-8-28-9-7-25/h4-5,10-11,13,28H,6-9,14-15H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223910
PNG
(6-(4-chlorobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3-d]p...)
Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2C2CCCCC2)C#N)cc1
Show InChI InChI=1S/C20H19ClN4/c21-16-8-6-14(7-9-16)10-18-11-15-13-23-19(12-22)24-20(15)25(18)17-4-2-1-3-5-17/h6-9,11,13,17H,1-5,10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223911
PNG
(7-neopentyl-6-((pyridin-4-yloxy)methyl)-7H-pyrrolo...)
Show SMILES CC(C)(C)Cn1c(COc2ccncc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C18H19N5O/c1-18(2,3)12-23-14(11-24-15-4-6-20-7-5-15)8-13-10-21-16(9-19)22-17(13)23/h4-8,10H,11-12H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223920
PNG
(6-(4-morpholinobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3...)
Show SMILES N#Cc1ncc2cc(Cc3ccc(cc3)N3CCOCC3)n(C3CCCCC3)c2n1
Show InChI InChI=1S/C24H27N5O/c25-16-23-26-17-19-15-22(29(24(19)27-23)21-4-2-1-3-5-21)14-18-6-8-20(9-7-18)28-10-12-30-13-11-28/h6-9,15,17,21H,1-5,10-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184049
PNG
(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/an/a 4n/an/an/an/an/an/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
3D Structure (docked)
Cathepsin K


(Homo sapiens (Human))
BDBM50223936
PNG
(6-((5,5-dimethyl-2,4-dioxooxazolidin-3-yl)methyl)-...)
Show SMILES CC(C)(C)Cn1c(CN2C(=O)OC(C)(C)C2=O)cc2cnc(nc12)C#N
Show InChI InChI=1S/C18H21N5O3/c1-17(2,3)10-23-12(6-11-8-20-13(7-19)21-14(11)23)9-22-15(24)18(4,5)26-16(22)25/h6,8H,9-10H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223940
PNG
(6-((4,5-dichloro-1H-imidazol-1-yl)methyl)-7-neopen...)
Show SMILES CC(C)(C)Cn1c(Cn2cnc(Cl)c2Cl)cc2cnc(nc12)C#N
Show InChI InChI=1S/C16H16Cl2N6/c1-16(2,3)8-24-11(7-23-9-21-13(17)14(23)18)4-10-6-20-12(5-19)22-15(10)24/h4,6,9H,7-8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223941
PNG
(6-(4-((diethylamino)methyl)benzyl)-7-cyclohexyl-7H...)
Show SMILES CCN(CC)Cc1ccc(Cc2cc3cnc(nc3n2C2CCCCC2)C#N)cc1
Show InChI InChI=1S/C25H31N5/c1-3-29(4-2)18-20-12-10-19(11-13-20)14-23-15-21-17-27-24(16-26)28-25(21)30(23)22-8-6-5-7-9-22/h10-13,15,17,22H,3-9,14,18H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223937
PNG
(6-((1H-1,2,3-triazol-1-yl)methyl)-7-neopentyl-7H-p...)
Show SMILES CC(C)(C)Cn1c(Cn2ccnn2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C15H17N7/c1-15(2,3)10-22-12(9-21-5-4-18-20-21)6-11-8-17-13(7-16)19-14(11)22/h4-6,8H,9-10H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223918
PNG
(6-((1H-imidazol-1-yl)methyl)-7-neopentyl-7H-pyrrol...)
Show SMILES CC(C)(C)Cn1c(Cn2ccnc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C16H18N6/c1-16(2,3)10-22-13(9-21-5-4-18-11-21)6-12-8-19-14(7-17)20-15(12)22/h4-6,8,11H,9-10H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Rattus norvegicus)
BDBM50223929
PNG
(7-(2,2-Dimethyl-propyl)-6-(3-methyl-2,4-dioxo-1,3,...)
Show SMILES CN1C(=O)NC2(CCN(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)CC2)C1=O
Show InChI InChI=1S/C21H27N7O2/c1-20(2,3)13-28-15(9-14-11-23-16(10-22)24-17(14)28)12-27-7-5-21(6-8-27)18(29)26(4)19(30)25-21/h9,11H,5-8,12-13H2,1-4H3,(H,25,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant cathepsin K expressed in Sf21 cells by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223923
PNG
(6-benzyl-7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidine-...)
Show SMILES N#Cc1ncc2cc(Cc3ccccc3)n(C3CCCCC3)c2n1
Show InChI InChI=1S/C20H20N4/c21-13-19-22-14-16-12-18(11-15-7-3-1-4-8-15)24(20(16)23-19)17-9-5-2-6-10-17/h1,3-4,7-8,12,14,17H,2,5-6,9-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Cathepsin K


(Rattus norvegicus)
BDBM50223934
PNG
(7-(2,2-Dimethyl-propyl)-6-(2,4-dioxo-8-propyl-1,3,...)
Show SMILES CCCN1CCC2(CC1)NC(=O)N(Cc1cc3cnc(nc3n1CC(C)(C)C)C#N)C2=O
Show InChI InChI=1S/C23H31N7O2/c1-5-8-28-9-6-23(7-10-28)20(31)29(21(32)27-23)14-17-11-16-13-25-18(12-24)26-19(16)30(17)15-22(2,3)4/h11,13H,5-10,14-15H2,1-4H3,(H,27,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant cathepsin K expressed in Sf21 cells by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183986
PNG
(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

Article
PubMed
n/an/a 29n/an/an/an/an/an/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
Cathepsin K


(Rattus norvegicus)
BDBM50223913
PNG
(6-((1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)methyl...)
Show SMILES CC(C)(C)Cn1c(CN2C(=O)CC3(CCNCC3)C2=O)cc2cnc(nc12)C#N
Show InChI InChI=1S/C21H26N6O2/c1-20(2,3)13-27-15(8-14-11-24-16(10-22)25-18(14)27)12-26-17(28)9-21(19(26)29)4-6-23-7-5-21/h8,11,23H,4-7,9,12-13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant cathepsin K expressed in Sf21 cells by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183989
PNG
(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

Article
PubMed
n/an/a 35n/an/an/an/an/an/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
PNG
(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

Article
PubMed
n/an/a 37n/an/an/an/an/an/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
PNG
(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

Article
PubMed
n/an/a 38n/an/an/an/an/an/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
PNG
(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

Article
PubMed
n/an/a 38n/an/an/an/an/an/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
Retinoid receptor


(Homo sapiens (Human))
BDBM50218464
PNG
((Z)-4-(5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-te...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C29H29N3O4/c1-28(2)12-13-29(3,4)22-16-25-20(15-21(22)28)26(17-6-8-18(9-7-17)27(33)34)30-23-14-19(32(35)36)10-11-24(23)31(25)5/h6-11,14-16H,12-13H2,1-5H3,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi...


Bioorg Med Chem Lett 19: 1001-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW
More data for this
Ligand-Target Pair
Cathepsin K


(Rattus norvegicus)
BDBM50244510
PNG
(7-(2,2-dimethylpropyl)-6-[(5-methoxy-2-oxospiro[in...)
Show SMILES COc1ccc2N(Cc3cc4cnc(nc4n3CC(C)(C)C)C#N)C(=O)C3(CCNCC3)c2c1
Show InChI InChI=1S/C26H30N6O2/c1-25(2,3)16-32-18(11-17-14-29-22(13-27)30-23(17)32)15-31-21-6-5-19(34-4)12-20(21)26(24(31)33)7-9-28-10-8-26/h5-6,11-12,14,28H,7-10,15-16H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant cathepsin K expressed in Sf21 cells by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50223928
PNG
(6-biphenyl-4-ylmethyl-7-cyclohexyl-7H-pyrrolo[2,3-...)
Show SMILES N#Cc1ncc2cc(Cc3ccc(cc3)-c3ccccc3)n(C3CCCCC3)c2n1
Show InChI InChI=1S/C26H24N4/c27-17-25-28-18-22-16-24(30(26(22)29-25)23-9-5-2-6-10-23)15-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1,3-4,7-8,11-14,16,18,23H,2,5-6,9-10,15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184002
PNG
(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

Article
PubMed
n/an/a 54n/an/an/an/an/an/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
PNG
(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

Article
PubMed
n/an/a 63n/an/an/an/an/an/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
PNG
(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

Article
PubMed
n/an/a 63n/an/an/an/an/an/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
PNG
(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

Article
PubMed
n/an/a 73n/an/an/an/an/an/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
Cathepsin K


(Rattus norvegicus)
BDBM50244460
PNG
(7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-1,3,8-triazas...)
Show SMILES CC(C)(C)Cn1c(CN2C(=O)NC3(CCNCC3)C2=O)cc2cnc(nc12)C#N
Show InChI InChI=1S/C20H25N7O2/c1-19(2,3)12-27-14(8-13-10-23-15(9-21)24-16(13)27)11-26-17(28)20(25-18(26)29)4-6-22-7-5-20/h8,10,22H,4-7,11-12H2,1-3H3,(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 76n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant cathepsin K expressed in Sf21 cells by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Cathepsin K


(Rattus norvegicus)
BDBM50223919
PNG
(7-(2,2-dimethylpropyl)-6-[(5-fluoro-2-oxospiro[ind...)
Show SMILES CC(C)(C)Cn1c(CN2C(=O)C3(CCNCC3)c3cc(F)ccc23)cc2cnc(nc12)C#N
Show InChI InChI=1S/C25H27FN6O/c1-24(2,3)15-32-18(10-16-13-29-21(12-27)30-22(16)32)14-31-20-5-4-17(26)11-19(20)25(23(31)33)6-8-28-9-7-25/h4-5,10-11,13,28H,6-9,14-15H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant cathepsin K expressed in Sf21 cells by fluorescence assay


J Med Chem 51: 5459-62 (2008)


Article DOI: 10.1021/jm800626a
BindingDB Entry DOI: 10.7270/Q2SF2W0R
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184020
PNG
(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 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 93n/an/an/an/an/an/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
Cathepsin S


(Homo sapiens (Human))
BDBM50223915
PNG
(6-benzyl-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2...)
Show SMILES CC(C)(C)Cn1c(Cc2ccccc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C19H20N4/c1-19(2,3)13-23-16(9-14-7-5-4-6-8-14)10-15-12-21-17(11-20)22-18(15)23/h4-8,10,12H,9,13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184043
PNG
(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

Article
PubMed
n/an/a 115n/an/an/an/an/an/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
PNG
(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

Article
PubMed
n/an/a 117n/an/an/an/an/an/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
PNG
(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

Article
PubMed
n/an/a 119n/an/an/an/an/an/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
PNG
(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

Article
PubMed
n/an/a 126n/an/an/an/an/an/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
Cathepsin S


(Homo sapiens (Human))
BDBM50223927
PNG
(CHEMBL251186 | N-(4-((2-cyano-7-neopentyl-7H-pyrro...)
Show SMILES CC(C)(C)Cn1c(Cc2ccc(NS(C)(=O)=O)cc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C20H23N5O2S/c1-20(2,3)13-25-17(10-15-12-22-18(11-21)23-19(15)25)9-14-5-7-16(8-6-14)24-28(4,26)27/h5-8,10,12,24H,9,13H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184036
PNG
(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
Article
PubMed
n/an/a 182n/an/an/an/an/an/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
PNG
(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
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
MMDB
PDB
Article
PubMed
n/an/a 212n/an/an/an/an/an/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
3D Structure (crystal)
Cathepsin S


(Homo sapiens (Human))
BDBM50223930
PNG
(CHEMBL251187 | N-{4-[(2-cyano-7-neopentyl-7H-pyrro...)
Show SMILES CC(C)(C)Cn1c(Cc2ccc(NS(N)(=O)=O)cc2)cc2cnc(nc12)C#N
Show InChI InChI=1S/C19H22N6O2S/c1-19(2,3)12-25-16(9-14-11-22-17(10-20)23-18(14)25)8-13-4-6-15(7-5-13)24-28(21,26)27/h4-7,9,11,24H,8,12H2,1-3H3,(H2,21,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin S by fluorescence assay


Bioorg Med Chem Lett 17: 6096-100 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.047
BindingDB Entry DOI: 10.7270/Q2G160K6
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184037
PNG
(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

Article
PubMed
n/an/a 221n/an/an/an/an/an/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
PNG
(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

Article
PubMed
n/an/a 232n/an/an/an/an/an/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
PNG
(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

Article
PubMed
n/an/a 235n/an/an/an/an/an/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
PNG
(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

Article
PubMed
n/an/a 236n/an/an/an/an/an/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
PNG
(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
Article
PubMed
n/an/a 242n/an/an/an/an/an/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
PNG
(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

Article
PubMed
n/an/a 262n/an/an/an/an/an/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
Displayed 1 to 50 (of 186 total )  |  Next  |  Last  >>
Jump to: