BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2679 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1 ' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM50214562
PNG
(2-(3-(4'-hydroxybiphenyl-4-yl)-7-methoxy-1,4-dihyd...)
Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1OC(CO)CO
Show InChI InChI=1S/C26H24N2O5/c1-32-23-12-21-18(11-24(23)33-20(13-29)14-30)10-22-25(27-28-26(21)22)17-4-2-15(3-5-17)16-6-8-19(31)9-7-16/h2-9,11-12,20,29-31H,10,13-14H2,1H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50222915
PNG
(4'-[5-(4-pyrrolidin-1-ylmethyl-phenylamino)-1H-pyr...)
Show SMILES Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CN3CCCC3)cc2)[nH]n1
Show InChI InChI=1S/C26H26N4O2/c31-22-11-12-23(25(32)15-22)19-5-7-20(8-6-19)24-16-26(29-28-24)27-21-9-3-18(4-10-21)17-30-13-1-2-14-30/h3-12,15-16,31-32H,1-2,13-14,17H2,(H2,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
0.180n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50222916
PNG
(4'-{5-[4-(dimethylamino-methyl)-phenylamino]-2H-py...)
Show SMILES CN(C)Cc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C24H24N4O2/c1-28(2)15-16-3-9-19(10-4-16)25-24-14-22(26-27-24)18-7-5-17(6-8-18)21-12-11-20(29)13-23(21)30/h3-14,29-30H,15H2,1-2H3,(H2,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
0.190n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50222920
PNG
(4'-{5-[6-(sec-butylamino-methyl)-pyridin-3-ylamino...)
Show SMILES CCC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cn1
Show InChI InChI=1S/C25H27N5O2/c1-3-16(2)26-14-19-8-9-20(15-27-19)28-25-13-23(29-30-25)18-6-4-17(5-7-18)22-11-10-21(31)12-24(22)32/h4-13,15-16,26,31-32H,3,14H2,1-2H3,(H2,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50221567
PNG
(4-(5-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazo...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(nc1)-c1ccc(O)cc1
Show InChI InChI=1S/C23H19N3O3/c1-28-20-10-15-9-18-22(25-26-23(18)17(15)11-21(20)29-2)14-5-8-19(24-12-14)13-3-6-16(27)7-4-13/h3-8,10-12,27H,9H2,1-2H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
0.251n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50222917
PNG
(4'-[5-(6-piperidin-1-ylmethyl-pyridin-3-ylamino)-1...)
Show SMILES Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CN3CCCCC3)nc2)[nH]n1
Show InChI InChI=1S/C26H27N5O2/c32-22-10-11-23(25(33)14-22)18-4-6-19(7-5-18)24-15-26(30-29-24)28-20-8-9-21(27-16-20)17-31-12-2-1-3-13-31/h4-11,14-16,32-33H,1-3,12-13,17H2,(H2,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50224891
PNG
((Z)-8-amino-7-chloro-3-oxo-11,16-dioxa-2,4,19,21-t...)
Show SMILES Nc1cc2OC\C=C/COc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C16H13ClN6O3/c17-9-5-11-13(6-10(9)19)25-3-1-2-4-26-15-12(7-18)20-8-14(22-15)23-16(24)21-11/h1-2,5-6,8H,3-4,19H2,(H2,21,22,23,24)/b2-1-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
0.316n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50222913
PNG
(4'-{5-[4-(isopropylamino-methyl)-phenylamino]-2H-p...)
Show SMILES CC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C25H26N4O2/c1-16(2)26-15-17-3-9-20(10-4-17)27-25-14-23(28-29-25)19-7-5-18(6-8-19)22-12-11-21(30)13-24(22)31/h3-14,16,26,30-31H,15H2,1-2H3,(H2,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
0.360n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50222914
PNG
(4'-[5-(4-cyclopropylaminomethyl-phenylamino)-2H-py...)
Show SMILES Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CNC3CC3)cc2)[nH]n1
Show InChI InChI=1S/C25H24N4O2/c30-21-11-12-22(24(31)13-21)17-3-5-18(6-4-17)23-14-25(29-28-23)27-20-7-1-16(2-8-20)15-26-19-9-10-19/h1-8,11-14,19,26,30-31H,9-10,15H2,(H2,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
0.380n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50222921
PNG
(3-(1H-benzo[d]imidazol-2-yl)-N-(2,4-dihydroxypheny...)
Show SMILES Oc1ccc(NC(=O)c2ccc3c(n[nH]c3c2)-c2nc3ccccc3[nH]2)c(O)c1
Show InChI InChI=1S/C21H15N5O3/c27-12-6-8-16(18(28)10-12)24-21(29)11-5-7-13-17(9-11)25-26-19(13)20-22-14-3-1-2-4-15(14)23-20/h1-10,27-28H,(H,22,23)(H,24,29)(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91857
PNG
(Chk1_133)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OCC[NH+]1CCCCC1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C30H31N3O3/c1-35-27-18-23-17-26-29(22-7-5-20(6-8-22)21-9-11-24(34)12-10-21)31-32-30(26)25(23)19-28(27)36-16-15-33-13-3-2-4-14-33/h5-12,18-19,34H,2-4,13-17H2,1H3,(H,31,32)/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.501n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50414091
PNG
(CHEMBL538671)
Show SMILES Cn1cc(-c2ccc3c(Nc4ccc(CCOc5ccc(cc5)N5CCOCC5)cc4NC3=O)c2)c2ccncc12
Show InChI InChI=1S/C33H31N5O3/c1-37-21-28(26-10-12-34-20-32(26)37)23-3-8-27-30(19-23)35-29-9-2-22(18-31(29)36-33(27)39)11-15-41-25-6-4-24(5-7-25)38-13-16-40-17-14-38/h2-10,12,18-21,35H,11,13-17H2,1H3,(H,36,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
0.631n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50222919
PNG
(4'-(5-{6-[(cyclopropylmethyl-amino)-methyl]-pyridi...)
Show SMILES Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CNCC3CC3)nc2)[nH]n1
Show InChI InChI=1S/C25H25N5O2/c31-21-9-10-22(24(32)11-21)17-3-5-18(6-4-17)23-12-25(30-29-23)28-20-8-7-19(27-15-20)14-26-13-16-1-2-16/h3-12,15-16,26,31-32H,1-2,13-14H2,(H2,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


Citation and Details
More data for this
Ligand-Target Pair
Checkpoint Kinase (Chk1)


(Homo sapiens)
BDBM91906
PNG
(Chk1_40)
Show SMILES OC1CCCN(C1)c1ccc(Br)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C17H17BrN6O2/c18-11-3-4-15(24-5-1-2-13(25)10-24)14(6-11)22-17(26)23-16-9-20-12(7-19)8-21-16/h3-4,6,8-9,13,25H,1-2,5,10H2,(H2,21,22,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
1n/an/an/an/an/an/an/an/a



CSAR



Assay Description
ChemBL affinity - Published Abbott papers


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50222918
PNG
(4'-(5-phenylamino-2H-pyrazol-3-yl)-biphenyl-2,4-di...)
Show SMILES Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccccc2)[nH]n1
Show InChI InChI=1S/C21H17N3O2/c25-17-10-11-18(20(26)12-17)14-6-8-15(9-7-14)19-13-21(24-23-19)22-16-4-2-1-3-5-16/h1-13,25-26H,(H2,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91906
PNG
(Chk1_40)
Show SMILES OC1CCCN(C1)c1ccc(Br)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C17H17BrN6O2/c18-11-3-4-15(24-5-1-2-13(25)10-24)14(6-11)22-17(26)23-16-9-20-12(7-19)8-21-16/h3-4,6,8-9,13,25H,1-2,5,10H2,(H2,21,22,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50414095
PNG
(CHEMBL542007)
Show SMILES Nc1cc2OC\C=C\CCOc3cncc(NC(=O)Nc2cc1Cl)n3
Show InChI InChI=1S/C16H16ClN5O3/c17-10-6-12-13(7-11(10)18)24-4-2-1-3-5-25-15-9-19-8-14(21-15)22-16(23)20-12/h1-2,6-9H,3-5,18H2,(H2,20,21,22,23)/b2-1+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50214577
PNG
(4'-(6,7-dimethoxy-1,4-dihydro-indeno[1,2-c]pyrazol...)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C24H20N2O3/c1-28-21-12-17-11-20-23(25-26-24(20)19(17)13-22(21)29-2)16-5-3-14(4-6-16)15-7-9-18(27)10-8-15/h3-10,12-13,27H,11H2,1-2H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50414226
PNG
(CHEMBL558077)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)CO)c1
Show InChI InChI=1S/C24H23N3O5/c1-24(2,13-28)16-6-8-18-20(12-16)26-23(29)17-7-4-14(10-19(17)25-18)15-5-9-21(27(30)31)22(11-15)32-3/h4-12,25,28H,13H2,1-3H3,(H,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM92906
PNG
(CHK1 compound 1)
Show SMILES O[C@H]1CN(C[C@H]1O)C(=O)c1[nH]c2cc(NC(=O)C3C[C@H]3c3ccccc3)cc3c2c1cn[nH]c3=O
Show InChI InChI=1S/C25H21N5O5/c31-19-10-30(11-20(19)32)25(35)22-17-9-26-29-24(34)16-6-13(7-18(28-22)21(16)17)27-23(33)15-8-14(15)12-4-2-1-3-5-12/h1-7,9,14-15,19-20,31-32H,8,10-11H2,(H,27,33)/t14-,15?,19-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
1.75 -49.5n/an/an/an/an/a7.422



Pfizer



Assay Description
The inhibitors reported in this study bind to CHK1 according to a general mechanism illustrated in Scheme 1 where E, S, and I stand for enzyme, subst...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50414204
PNG
(CHEMBL541515)
Show SMILES COc1cc2NC(=O)c3ccc(Nc4cc(F)nc(F)c4)cc3Nc2cc1OCCCCO
Show InChI InChI=1S/C23H22F2N4O4/c1-32-19-11-18-17(12-20(19)33-7-3-2-6-30)27-16-8-13(4-5-15(16)23(31)28-18)26-14-9-21(24)29-22(25)10-14/h4-5,8-12,27,30H,2-3,6-7H2,1H3,(H,26,29)(H,28,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50414225
PNG
(CHEMBL551086)
Show SMILES OC1CC(COc2ccc(Cl)cc2NC(=O)Nc2cnc(cn2)C#N)CC1O
Show InChI InChI=1S/C18H18ClN5O4/c19-11-1-2-16(28-9-10-3-14(25)15(26)4-10)13(5-11)23-18(27)24-17-8-21-12(6-20)7-22-17/h1-2,5,7-8,10,14-15,25-26H,3-4,9H2,(H2,22,23,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50414215
PNG
(CHEMBL540756)
Show SMILES CC(C)(O)c1ccc2Nc3cc(Nc4ccncc4)ccc3C(=O)Nc2c1
Show InChI InChI=1S/C21H20N4O2/c1-21(2,27)13-3-6-17-19(11-13)25-20(26)16-5-4-15(12-18(16)24-17)23-14-7-9-22-10-8-14/h3-12,24,27H,1-2H3,(H,22,23)(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50414074
PNG
(CHEMBL559425)
Show SMILES COc1cccc(c1)-c1ccc2c(Nc3ccc(CCC(=O)N(C)C)cc3NC2=O)c1
Show InChI InChI=1S/C25H25N3O3/c1-28(2)24(29)12-8-16-7-11-21-23(13-16)27-25(30)20-10-9-18(15-22(20)26-21)17-5-4-6-19(14-17)31-3/h4-7,9-11,13-15,26H,8,12H2,1-3H3,(H,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50414219
PNG
(CHEMBL559621)
Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccccc2)cc1OCCCN1CCOCC1
Show InChI InChI=1S/C24H27N3O3/c1-28-21-16-19-18(15-22(21)30-11-5-8-27-9-12-29-13-10-27)14-20-23(25-26-24(19)20)17-6-3-2-4-7-17/h2-4,6-7,15-16H,5,8-14H2,1H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50414082
PNG
(CHEMBL550209)
Show SMILES Clc1ccc(N2CCCC2)c(NC(=O)Nc2cnc(cn2)C#N)c1
Show InChI InChI=1S/C16H15ClN6O/c17-11-3-4-14(23-5-1-2-6-23)13(7-11)21-16(24)22-15-10-19-12(8-18)9-20-15/h3-4,7,9-10H,1-2,5-6H2,(H2,20,21,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14826
PNG
(1-[5-chloro-2-(tetrahydrofuran-3-yloxy)phenyl]-3-(...)
Show SMILES Clc1ccc(OC2CCOC2)c(NC(=O)Nc2cnc(cn2)C#N)c1
Show InChI InChI=1S/C16H14ClN5O3/c17-10-1-2-14(25-12-3-4-24-9-12)13(5-10)21-16(23)22-15-8-19-11(6-18)7-20-15/h1-2,5,7-8,12H,3-4,9H2,(H2,20,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50414229
PNG
(CHEMBL560210)
Show SMILES Oc1cc2ccccc2cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C16H11N5O2/c17-7-12-8-19-15(9-18-12)21-16(23)20-13-5-10-3-1-2-4-11(10)6-14(13)22/h1-6,8-9,22H,(H2,19,20,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50414220
PNG
(CHEMBL549527)
Show SMILES COc1cccc(c1)-c1ccc2c(Nc3cc(OCc4csc(C)n4)c(OC)cc3NC2=O)c1
Show InChI InChI=1S/C26H23N3O4S/c1-15-27-18(14-34-15)13-33-25-12-22-23(11-24(25)32-3)29-26(30)20-8-7-17(10-21(20)28-22)16-5-4-6-19(9-16)31-2/h4-12,14,28H,13H2,1-3H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14605
PNG
(1-(4-amino-5-chloro-2-methoxyphenyl)-3-(5-cyanopyr...)
Show SMILES COc1cc(N)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C13H11ClN6O2/c1-22-11-3-9(16)8(14)2-10(11)19-13(21)20-12-6-17-7(4-15)5-18-12/h2-3,5-6H,16H2,1H3,(H2,18,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91827
PNG
(CHEMBL232804 | Chk1_101)
Show SMILES OCc1ccc2Cc3c([nH]nc3-c3ccc(cc3)-c3ccc(O)cc3)-c2c1
Show InChI InChI=1S/C23H18N2O2/c26-13-14-1-2-18-12-21-22(24-25-23(21)20(18)11-14)17-5-3-15(4-6-17)16-7-9-19(27)10-8-16/h1-11,26-27H,12-13H2,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50221589
PNG
(4-((6,7-dimethoxy-1,4-dihydroindeno[1,2-c]pyrazol-...)
Show SMILES COc1cc2Cc3c(n[nH]c3C#Cc3ccc(O)c(OC)c3)-c2cc1OC
Show InChI InChI=1S/C21H18N2O4/c1-25-18-8-12(5-7-17(18)24)4-6-16-15-9-13-10-19(26-2)20(27-3)11-14(13)21(15)23-22-16/h5,7-8,10-11,24H,9H2,1-3H3,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50414096
PNG
(CHEMBL550820)
Show SMILES COc1cc-2c(cc1OCCCN1CCOCC1)C(=O)c1c(n[nH]c-21)-c1ccccc1
Show InChI InChI=1S/C24H25N3O4/c1-29-19-14-17-18(15-20(19)31-11-5-8-27-9-12-30-13-10-27)24(28)21-22(25-26-23(17)21)16-6-3-2-4-7-16/h2-4,6-7,14-15H,5,8-13H2,1H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50414207
PNG
(CHEMBL555940)
Show SMILES OC1CCN(C1)c1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C16H15ClN6O2/c17-10-1-2-14(23-4-3-12(24)9-23)13(5-10)21-16(25)22-15-8-19-11(6-18)7-20-15/h1-2,5,7-8,12,24H,3-4,9H2,(H2,20,21,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50414086
PNG
(CHEMBL563792)
Show SMILES CCc1cc-2c(Cc3c(n[nH]c-23)-c2cccnc2)cc1OC1CCOC1
Show InChI InChI=1S/C21H21N3O2/c1-2-13-8-17-15(10-19(13)26-16-5-7-25-12-16)9-18-20(23-24-21(17)18)14-4-3-6-22-11-14/h3-4,6,8,10-11,16H,2,5,7,9,12H2,1H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Checkpoint Kinase (Chk1)


(Homo sapiens)
BDBM91914
PNG
(Chk1_48)
Show SMILES OC1CC(CC1O)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C17H16ClN5O4/c18-9-1-2-15(27-11-4-13(24)14(25)5-11)12(3-9)22-17(26)23-16-8-20-10(6-19)7-21-16/h1-3,7-8,11,13-14,24-25H,4-5H2,(H2,21,22,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
5n/an/an/an/an/an/an/an/a



CSAR



Assay Description
ChemBL affinity - Published Abbott papers


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91914
PNG
(Chk1_48)
Show SMILES OC1CC(CC1O)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C17H16ClN5O4/c18-9-1-2-15(27-11-4-13(24)14(25)5-11)12(3-9)22-17(26)23-16-8-20-10(6-19)7-21-16/h1-3,7-8,11,13-14,24-25H,4-5H2,(H2,21,22,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM92906
PNG
(CHK1 compound 1)
Show SMILES O[C@H]1CN(C[C@H]1O)C(=O)c1[nH]c2cc(NC(=O)C3C[C@H]3c3ccccc3)cc3c2c1cn[nH]c3=O
Show InChI InChI=1S/C25H21N5O5/c31-19-10-30(11-20(19)32)25(35)22-17-9-26-29-24(34)16-6-13(7-18(28-22)21(16)17)27-23(33)15-8-14(15)12-4-2-1-3-5-12/h1-7,9,14-15,19-20,31-32H,8,10-11H2,(H,27,33)/t14-,15?,19-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
5.14 -46.5n/an/an/an/an/a8.020



Pfizer



Assay Description
Surface plasmon resonance (SPR) biosensor binding studies were conducted using a Biacore 3000 instrument (GE Healtchare).


Citation and Details
More data for this
Ligand-Target Pair
Checkpoint Kinase (Chk1)


(Homo sapiens)
BDBM17054
PNG
((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
5.60 -49.0n/an/an/an/an/a7.437



GlaxoSmithKline



Assay Description
In vitro Chk1 enzymatic assay using purified enzyme, was incubated with substrate, and test compounds in the presence of 10 uM ATP/ [gamma-32P] ATP. ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Checkpoint Kinase (Chk1)


(Homo sapiens)
BDBM91847
PNG
(Chk1_122)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H33N5O6/c1-34(2,33(41)35-24-7-9-25(10-8-24)38-14-16-45-17-15-38)23-6-12-27-29(20-23)37-32(40)26-11-4-21(18-28(26)36-27)22-5-13-30(39(42)43)31(19-22)44-3/h4-13,18-20,36H,14-17H2,1-3H3,(H,35,41)(H,37,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
6n/an/an/an/an/an/an/an/a



CSAR



Assay Description
ChemBL affinity - Published Abbott papers


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Checkpoint Kinase (Chk1)


(Homo sapiens)
BDBM91915
PNG
(Chk1_49)
Show SMILES OC1CCC(C1)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C17H16ClN5O3/c18-10-1-4-15(26-13-3-2-12(24)6-13)14(5-10)22-17(25)23-16-9-20-11(7-19)8-21-16/h1,4-5,8-9,12-13,24H,2-3,6H2,(H2,21,22,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
6n/an/an/an/an/an/an/an/a



CSAR



Assay Description
ChemBL affinity - Published Abbott papers


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Checkpoint Kinase (Chk1)


(Homo sapiens)
BDBM91948
PNG
(Chk1_80)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(CC(=O)N(C)C)cc3NC2=O)c1
Show InChI InChI=1S/C24H22N4O5/c1-27(2)23(29)11-14-4-8-18-20(10-14)26-24(30)17-7-5-15(12-19(17)25-18)16-6-9-21(28(31)32)22(13-16)33-3/h4-10,12-13,25H,11H2,1-3H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
6n/an/an/an/an/an/an/an/a



CSAR



Assay Description
ChemBL affinity - Published Abbott papers


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91948
PNG
(Chk1_80)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(CC(=O)N(C)C)cc3NC2=O)c1
Show InChI InChI=1S/C24H22N4O5/c1-27(2)23(29)11-14-4-8-18-20(10-14)26-24(30)17-7-5-15(12-19(17)25-18)16-6-9-21(28(31)32)22(13-16)33-3/h4-10,12-13,25H,11H2,1-3H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91964
PNG
(CHEMBL391449 | Chk1_95)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(O)ccc-21
Show InChI InChI=1S/C22H16N2O2/c25-17-7-5-14(6-8-17)13-1-3-15(4-2-13)21-20-12-16-11-18(26)9-10-19(16)22(20)24-23-21/h1-11,25-26H,12H2,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91915
PNG
(Chk1_49)
Show SMILES OC1CCC(C1)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C17H16ClN5O3/c18-10-1-4-15(26-13-3-2-12(24)6-13)14(5-10)22-17(25)23-16-9-20-11(7-19)8-21-16/h1,4-5,8-9,12-13,24H,2-3,6H2,(H2,21,22,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50414150
PNG
(CHEMBL559498)
Show SMILES COc1cccc(c1)-c1ccc2c(Nc3cc(OCc4ccncc4)c(OC)cc3NC2=O)c1
Show InChI InChI=1S/C27H23N3O4/c1-32-20-5-3-4-18(12-20)19-6-7-21-22(13-19)29-23-15-26(34-16-17-8-10-28-11-9-17)25(33-2)14-24(23)30-27(21)31/h3-15,29H,16H2,1-2H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91847
PNG
(Chk1_122)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H33N5O6/c1-34(2,33(41)35-24-7-9-25(10-8-24)38-14-16-45-17-15-38)23-6-12-27-29(20-23)37-32(40)26-11-4-21(18-28(26)36-27)22-5-13-30(39(42)43)31(19-22)44-3/h4-13,18-20,36H,14-17H2,1-3H3,(H,35,41)(H,37,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Checkpoint Kinase (Chk1)


(Homo sapiens)
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
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
7.80 -48.1n/an/an/an/an/a7.437



GlaxoSmithKline



Assay Description
In vitro Chk1 enzymatic assay using purified enzyme, was incubated with substrate, and test compounds in the presence of 10 uM ATP/ [gamma-32P] ATP. ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50212489
PNG
(4'-(6-(hydroxymethyl)-1,4-dihydroindeno[1,2-c]pyra...)
Show SMILES OCc1ccc-2c(Cc3c-2[nH]nc3-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C23H18N2O2/c26-13-14-1-10-20-18(11-14)12-21-22(24-25-23(20)21)17-4-2-15(3-5-17)16-6-8-19(27)9-7-16/h1-11,26-27H,12-13H2,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
7.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Displayed 1 to 50 (of 2679 total )  |  Next  |  Last  >>
Jump to: