BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 128 hits with Last Name = 'proisy' 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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359810
PNG
(CHEMBL1928701)
Show SMILES Clc1cccc2cc(Nc3cnc(C#N)c(OC4CCCNC4)n3)ncc12
Show InChI InChI=1S/C19H17ClN6O/c20-15-5-1-3-12-7-17(24-10-14(12)15)25-18-11-23-16(8-21)19(26-18)27-13-4-2-6-22-9-13/h1,3,5,7,10-11,13,22H,2,4,6,9H2,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359811
PNG
(CHEMBL1928700)
Show SMILES N#Cc1ncc(Nc2cc3ccccc3cn2)nc1OC1CCCNC1
Show InChI InChI=1S/C19H18N6O/c20-9-16-19(26-15-6-3-7-21-11-15)25-18(12-22-16)24-17-8-13-4-1-2-5-14(13)10-23-17/h1-2,4-5,8,10,12,15,21H,3,6-7,11H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359807
PNG
(CHEMBL1928705)
Show SMILES C[C@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359814
PNG
(CHEMBL1928697)
Show SMILES N#Cc1ncc(Nc2cc3ccccc3cn2)nc1OCC1CCNCC1
Show InChI InChI=1S/C20H20N6O/c21-10-17-20(27-13-14-5-7-22-8-6-14)26-19(12-23-17)25-18-9-15-3-1-2-4-16(15)11-24-18/h1-4,9,11-12,14,22H,5-8,13H2,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359812
PNG
(CHEMBL1928699)
Show SMILES Clc1cccc2cc(Nc3cnc(C#N)c(OCC4CCNCC4)n3)ncc12
Show InChI InChI=1S/C20H19ClN6O/c21-16-3-1-2-14-8-18(25-10-15(14)16)26-19-11-24-17(9-22)20(27-19)28-12-13-4-6-23-7-5-13/h1-3,8,10-11,13,23H,4-7,12H2,(H,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359809
PNG
(CHEMBL1928702)
Show SMILES CN(C)CCOc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C18H17ClN6O/c1-25(2)6-7-26-18-15(9-20)21-11-17(24-18)23-16-8-12-4-3-5-14(19)13(12)10-22-16/h3-5,8,10-11H,6-7H2,1-2H3,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359806
PNG
(CHEMBL1928706)
Show SMILES C[C@@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM15361
PNG
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Show SMILES C[C@@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEBI
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359819
PNG
(CHEMBL1928692)
Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1
Show InChI InChI=1S/C18H21N7O2/c1-27-18(26)14-10-24-16(25-17-11-21-13(7-19)9-23-17)6-15(14)22-8-12-2-4-20-5-3-12/h6,9-12,20H,2-5,8H2,1H3,(H2,22,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM15361
PNG
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Show SMILES C[C@@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEBI
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359816
PNG
(CHEMBL1928695)
Show SMILES N#Cc1ncc(Nc2cc3nc[nH]c3cn2)nc1OCC1CCNCC1
Show InChI InChI=1S/C17H18N8O/c18-6-13-17(26-9-11-1-3-19-4-2-11)25-16(8-20-13)24-15-5-12-14(7-21-15)23-10-22-12/h5,7-8,10-11,19H,1-4,9H2,(H,22,23)(H,21,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359808
PNG
(CHEMBL1928703)
Show SMILES CC(CN(C)C)Oc1nc(Nc2cc3ccccc3cn2)cnc1C#N
Show InChI InChI=1S/C19H20N6O/c1-13(12-25(2)3)26-19-16(9-20)21-11-18(24-19)23-17-8-14-6-4-5-7-15(14)10-22-17/h4-8,10-11,13H,12H2,1-3H3,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68248
PNG
(Microlactone, 15a)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCC\C=C\CCOC2=O)c1Cl
Show InChI InChI=1S/C17H19ClO5/c18-16-12-9-11(19)7-5-3-1-2-4-6-8-23-17(22)15(12)13(20)10-14(16)21/h2,4,10,20-21H,1,3,5-9H2/b4-2+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68263
PNG
(Microlactone, 15h)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Cl
Show InChI InChI=1S/C18H21ClO5/c19-17-13-10-12(20)8-6-4-2-1-3-5-7-9-24-18(23)16(13)14(21)11-15(17)22/h3,5,11,21-22H,1-2,4,6-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68256
PNG
(Microlactone, 15c)
Show SMILES C[C@@H]1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+/t11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68248
PNG
(Microlactone, 15a)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCC\C=C\CCOC2=O)c1Cl
Show InChI InChI=1S/C17H19ClO5/c18-16-12-9-11(19)7-5-3-1-2-4-6-8-23-17(22)15(12)13(20)10-14(16)21/h2,4,10,20-21H,1,3,5-9H2/b4-2+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359822
PNG
(CHEMBL1928689)
Show SMILES N#Cc1cnc(Nc2cc(NCC3CCNCC3)ncn2)cn1
Show InChI InChI=1S/C15H18N8/c16-6-12-8-20-15(9-18-12)23-14-5-13(21-10-22-14)19-7-11-1-3-17-4-2-11/h5,8-11,17H,1-4,7H2,(H2,19,20,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68264
PNG
(Microlactone, 15i)
Show SMILES C[C@@H]1CC=CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C19H23ClO5/c1-12-8-6-4-2-3-5-7-9-13(21)10-14-17(19(24)25-12)15(22)11-16(23)18(14)20/h4,6,11-12,22-23H,2-3,5,7-10H2,1H3/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68263
PNG
(Microlactone, 15h)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Cl
Show InChI InChI=1S/C18H21ClO5/c19-17-13-10-12(20)8-6-4-2-1-3-5-7-9-24-18(23)16(13)14(21)11-15(17)22/h3,5,11,21-22H,1-2,4,6-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68250
PNG
(Microlactone, 15b)
Show SMILES CC1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

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



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68249
PNG
(Microlactone, 16a)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCC[C@H]3O[C@@H]3CCOC2=O)c1Cl
Show InChI InChI=1S/C17H19ClO6/c18-16-10-7-9(19)3-1-2-4-13-14(24-13)5-6-23-17(22)15(10)11(20)8-12(16)21/h8,13-14,20-21H,1-7H2/t13-,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM15361
PNG
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Show SMILES C[C@@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEBI
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



University of Nottingham



Assay Description
A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68264
PNG
(Microlactone, 15i)
Show SMILES C[C@@H]1CC=CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C19H23ClO5/c1-12-8-6-4-2-3-5-7-9-13(21)10-14-17(19(24)25-12)15(22)11-16(23)18(14)20/h4,6,11-12,22-23H,2-3,5,7-10H2,1H3/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68266
PNG
(Microlactone, 15j)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCCC=CCCOC2=O)c1Cl
Show InChI InChI=1S/C19H23ClO5/c20-18-14-11-13(21)9-7-5-3-1-2-4-6-8-10-25-19(24)17(14)15(22)12-16(18)23/h4,6,12,22-23H,1-3,5,7-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68251
PNG
(Microlactone, 16b)
Show SMILES CC1C[C@H]2O[C@@H]2CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h8-9,14-15,21-22H,2-7H2,1H3/t9?,14-,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359796
PNG
(CHEMBL1928682)
Show SMILES NCC1CCN(CC1)c1ncnc2[nH]c3cnccc3c12
Show InChI InChI=1S/C15H18N6/c16-7-10-2-5-21(6-3-10)15-13-11-1-4-17-8-12(11)20-14(13)18-9-19-15/h1,4,8-10H,2-3,5-7,16H2,(H,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68251
PNG
(Microlactone, 16b)
Show SMILES CC1C[C@H]2O[C@@H]2CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h8-9,14-15,21-22H,2-7H2,1H3/t9?,14-,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68249
PNG
(Microlactone, 16a)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCC[C@H]3O[C@@H]3CCOC2=O)c1Cl
Show InChI InChI=1S/C17H19ClO6/c18-16-10-7-9(19)3-1-2-4-13-14(24-13)5-6-23-17(22)15(10)11(20)8-12(16)21/h8,13-14,20-21H,1-7H2/t13-,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68250
PNG
(Microlactone, 15b)
Show SMILES CC1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359823
PNG
(CHEMBL1928688)
Show SMILES NCCCNc1cc(Nc2cnc(cn2)C#N)ncn1
Show InChI InChI=1S/C12H14N8/c13-2-1-3-15-10-4-11(19-8-18-10)20-12-7-16-9(5-14)6-17-12/h4,6-8H,1-3,13H2,(H2,15,17,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359804
PNG
(CHEMBL1928673)
Show SMILES NCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12
Show InChI InChI=1S/C18H21N5O2/c19-7-14-9-23(4-5-25-14)18-16-15(8-20-17(16)21-11-22-18)13-3-1-2-12(6-13)10-24/h1-3,6,8,11,14,24H,4-5,7,9-10,19H2,(H,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68260
PNG
(Microlactone, 15f cis)
Show SMILES Oc1cc(O)c2c(CC(=O)CCC\C=C/CCOC2=O)c1Cl
Show InChI InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68255
PNG
(Microlactone, 14c)
Show SMILES C[C@@H]1C\C=C\CCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H22O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5,10-12,20-21H,2,4,6-9H2,1H3/b5-3+/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68255
PNG
(Microlactone, 14c)
Show SMILES C[C@@H]1C\C=C\CCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H22O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5,10-12,20-21H,2,4,6-9H2,1H3/b5-3+/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 540n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359806
PNG
(CHEMBL1928706)
Show SMILES C[C@@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 560n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68261
PNG
(Microlactone, 15f trans)
Show SMILES Oc1cc(O)c2c(CC(=O)CCC\C=C\CCOC2=O)c1Cl
Show InChI InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 590n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359797
PNG
(CHEMBL1928681)
Show SMILES NC1CCN(CC1)c1ncnc2[nH]c3cnccc3c12
Show InChI InChI=1S/C14H16N6/c15-9-2-5-20(6-3-9)14-12-10-1-4-16-7-11(10)19-13(12)17-8-18-14/h1,4,7-9H,2-3,5-6,15H2,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 670n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359813
PNG
(CHEMBL1928698)
Show SMILES Clc1cccc2cc(Nc3cnc(cn3)C#N)ncc12
Show InChI InChI=1S/C14H8ClN5/c15-12-3-1-2-9-4-13(19-7-11(9)12)20-14-8-17-10(5-16)6-18-14/h1-4,6-8H,(H,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 740n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68263
PNG
(Microlactone, 15h)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Cl
Show InChI InChI=1S/C18H21ClO5/c19-17-13-10-12(20)8-6-4-2-1-3-5-7-9-24-18(23)16(13)14(21)11-15(17)22/h3,5,11,21-22H,1-2,4,6-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/a 760n/an/an/an/an/an/a



University of Nottingham



Assay Description
A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68260
PNG
(Microlactone, 15f cis)
Show SMILES Oc1cc(O)c2c(CC(=O)CCC\C=C/CCOC2=O)c1Cl
Show InChI InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 850n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68266
PNG
(Microlactone, 15j)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCCC=CCCOC2=O)c1Cl
Show InChI InChI=1S/C19H23ClO5/c20-18-14-11-13(21)9-7-5-3-1-2-4-6-8-10-25-19(24)17(14)15(22)12-16(18)23/h4,6,12,22-23H,1-3,5,7-11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 870n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359801
PNG
(CHEMBL1928677)
Show SMILES NCC1CN(CCO1)c1ncnc2[nH]c3cnccc3c12
Show InChI InChI=1S/C14H16N6O/c15-5-9-7-20(3-4-21-9)14-12-10-1-2-16-6-11(10)19-13(12)17-8-18-14/h1-2,6,8-9H,3-5,7,15H2,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 880n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50359815
PNG
(CHEMBL1928696)
Show SMILES N#Cc1cnc(Nc2cc3ccccc3cn2)cn1
Show InChI InChI=1S/C14H9N5/c15-6-12-8-18-14(9-16-12)19-13-5-10-3-1-2-4-11(10)7-17-13/h1-5,7-9H,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 940n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68256
PNG
(Microlactone, 15c)
Show SMILES C[C@@H]1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+/t11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



University of Nottingham



Assay Description
A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68261
PNG
(Microlactone, 15f trans)
Show SMILES Oc1cc(O)c2c(CC(=O)CCC\C=C\CCOC2=O)c1Cl
Show InChI InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM33212
PNG
(pyrazolo pyridine, 11)
Show SMILES CCOC(=O)c1cnc2[nH]ncc2c1N1CCOC(CN)C1
Show InChI InChI=1S/C14H19N5O3/c1-2-21-14(20)11-6-16-13-10(7-17-18-13)12(11)19-3-4-22-9(5-15)8-19/h6-7,9H,2-5,8,15H2,1H3,(H,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68250
PNG
(Microlactone, 15b)
Show SMILES CC1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Nottingham



Assay Description
A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68248
PNG
(Microlactone, 15a)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCC\C=C\CCOC2=O)c1Cl
Show InChI InChI=1S/C17H19ClO5/c18-16-12-9-11(19)7-5-3-1-2-4-6-8-23-17(22)15(12)13(20)10-14(16)21/h2,4,10,20-21H,1,3,5-9H2/b4-2+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



University of Nottingham



Assay Description
A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...


Chem Biol 13: 1203-15 (2006)


Article DOI: 10.1016/j.chembiol.2006.09.015
BindingDB Entry DOI: 10.7270/Q2930RMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Displayed 1 to 50 (of 128 total )  |  Next  |  Last  >>
Jump to: