BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 133 hits from Dr. Reddys Laboratories   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204980
PNG
((E)-2-(5-((2-acetamidothiazol-4-yl)methyl)-4-(4-ch...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C24H21ClN8O3S2/c1-15(34)27-23-28-19(13-37-23)11-20-29-31-24(33(20)32-22(36)17-7-9-18(25)10-8-17)38-14-21(35)30-26-12-16-5-3-2-4-6-16/h2-10,12-13H,11,14H2,1H3,(H,30,35)(H,32,36)(H,27,28,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204969
PNG
(2-(5-((2-benzamidothiazol-4-yl)methyl)-4-(4-chloro...)
Show SMILES NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClN8O3S2/c23-15-8-6-14(7-9-15)20(34)30-31-17(28-29-22(31)36-12-18(32)27-24)10-16-11-35-21(25-16)26-19(33)13-4-2-1-3-5-13/h1-9,11H,10,12,24H2,(H,27,32)(H,30,34)(H,25,26,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205012
PNG
((E)-N'-benzylidene-2-(5-((2-(2-chloroacetamido)thi...)
Show SMILES ClCC(=O)Nc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C24H20Cl2N8O3S2/c25-11-20(35)29-23-28-18(13-38-23)10-19-30-32-24(34(19)33-22(37)16-6-8-17(26)9-7-16)39-14-21(36)31-27-12-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,31,36)(H,33,37)(H,28,29,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204973
PNG
(2-(5-((2-(2-chloroacetamido)thiazol-4-yl)methyl)-4...)
Show SMILES NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16Cl2N8O3S2/c18-6-13(28)22-16-21-11(7-31-16)5-12-24-25-17(32-8-14(29)23-20)27(12)26-15(30)9-1-3-10(19)4-2-9/h1-4,7H,5-6,8,20H2,(H,23,29)(H,26,30)(H,21,22,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204959
PNG
(CHEMBL390918 | N-{4-[(4-amino-5-sulfanyl-4H-1,2,4-...)
Show SMILES CC(=O)Nc1nc(Cc2n[nH]c(=S)n2N)cs1
Show InChI InChI=1S/C8H10N6OS2/c1-4(15)10-7-11-5(3-17-7)2-6-12-13-8(16)14(6)9/h3H,2,9H2,1H3,(H,13,16)(H,10,11,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens-Homo sapiens (human))
BDBM50204959
PNG
(CHEMBL390918 | N-{4-[(4-amino-5-sulfanyl-4H-1,2,4-...)
Show SMILES CC(=O)Nc1nc(Cc2n[nH]c(=S)n2N)cs1
Show InChI InChI=1S/C8H10N6OS2/c1-4(15)10-7-11-5(3-17-7)2-6-12-13-8(16)14(6)9/h3H,2,9H2,1H3,(H,13,16)(H,10,11,15)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk2/cyclin E by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens-Homo sapiens (human))
BDBM50205012
PNG
((E)-N'-benzylidene-2-(5-((2-(2-chloroacetamido)thi...)
Show SMILES ClCC(=O)Nc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C24H20Cl2N8O3S2/c25-11-20(35)29-23-28-18(13-38-23)10-19-30-32-24(34(19)33-22(37)16-6-8-17(26)9-7-16)39-14-21(36)31-27-12-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,31,36)(H,33,37)(H,28,29,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk2/cyclin E by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205002
PNG
(CHEMBL399828 | N-(3-((2-acetamidothiazol-4-yl)meth...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C17H14ClN7O2S2/c1-10(26)20-16-21-13(9-29-16)8-14-22-23-17(28-7-6-19)25(14)24-15(27)11-2-4-12(18)5-3-11/h2-5,9H,7-8H2,1H3,(H,24,27)(H,20,21,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205055
PNG
(3-{4-[4-(4-chloro-benzoylamino)-5-hydrazinocarbony...)
Show SMILES NNC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN8O4S2/c19-11-3-1-10(2-4-11)16(31)26-27-13(24-25-18(27)33-9-14(28)23-20)7-12-8-32-17(22-12)21-6-5-15(29)30/h1-4,8H,5-7,9,20H2,(H,21,22)(H,23,28)(H,26,31)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205021
PNG
(CHEMBL437560 | N-[3-(2-benzoylamino-thiazol-4-ylme...)
Show SMILES Clc1ccc(cc1)C(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC#N
Show InChI InChI=1S/C22H16ClN7O2S2/c23-16-8-6-15(7-9-16)20(32)29-30-18(27-28-22(30)33-11-10-24)12-17-13-34-21(25-17)26-19(31)14-4-2-1-3-5-14/h1-9,13H,11-12H2,(H,29,32)(H,25,26,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204957
PNG
(2-(5-((2-acetamidothiazol-4-yl)methyl)-4-(4-chloro...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C17H17ClN8O3S2/c1-9(27)20-16-21-12(7-30-16)6-13-23-24-17(31-8-14(28)22-19)26(13)25-15(29)10-2-4-11(18)5-3-10/h2-5,7H,6,8,19H2,1H3,(H,22,28)(H,25,29)(H,20,21,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205023
PNG
(3-{4-[5-[5-[2-(2-carboxy-ethylamino)-thiazol-4-ylm...)
Show SMILES OC(=O)CCNc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NCCC(O)=O)n4)n3NC(=O)c3ccc(Cl)cc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C33H30Cl2N12O6S4/c34-20-5-1-18(2-6-20)28(52)44-46-24(13-22-15-54-30(38-22)36-11-9-26(48)49)40-42-32(46)56-17-57-33-43-41-25(14-23-16-55-31(39-23)37-12-10-27(50)51)47(33)45-29(53)19-3-7-21(35)8-4-19/h1-8,15-16H,9-14,17H2,(H,36,38)(H,37,39)(H,44,52)(H,45,53)(H,48,49)(H,50,51)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 168n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205067
PNG
(3-{4-[5-{2-[N'-(2-chloro-acetyl)-hydrazino]-2-oxo-...)
Show SMILES OC(=O)CCNc1nc(Cc2nnc(SCC(=O)NNC(=O)CCl)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C20H20Cl2N8O5S2/c21-8-15(31)26-27-16(32)10-37-20-28-25-14(7-13-9-36-19(24-13)23-6-5-17(33)34)30(20)29-18(35)11-1-3-12(22)4-2-11/h1-4,9H,5-8,10H2,(H,23,24)(H,26,31)(H,27,32)(H,29,35)(H,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205016
PNG
(2-(4-acetamido-5-((2-benzamidothiazol-4-yl)methyl)...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC(=O)NN
Show InChI InChI=1S/C17H18N8O3S2/c1-10(26)24-25-13(22-23-17(25)30-9-14(27)21-18)7-12-8-29-16(19-12)20-15(28)11-5-3-2-4-6-11/h2-6,8H,7,9,18H2,1H3,(H,21,27)(H,24,26)(H,19,20,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 186n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205009
PNG
(CHEMBL233519 | N-[3-(2-benzoylamino-thiazol-4-ylme...)
Show SMILES Clc1ccc(cc1)C(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)n[nH]c1=S
Show InChI InChI=1S/C20H15ClN6O2S2/c21-14-8-6-13(7-9-14)18(29)26-27-16(24-25-20(27)30)10-15-11-31-19(22-15)23-17(28)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,25,30)(H,26,29)(H,22,23,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 186n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205059
PNG
(2-(5-((2-acetamidothiazol-4-yl)methyl)-4-benzamido...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C17H18N8O3S2/c1-10(26)19-16-20-12(8-29-16)7-13-22-23-17(30-9-14(27)21-18)25(13)24-15(28)11-5-3-2-4-6-11/h2-6,8H,7,9,18H2,1H3,(H,21,27)(H,24,28)(H,19,20,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 197n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205035
PNG
(2-(4-acetamido-5-((2-(2-chloroacetamido)thiazol-4-...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC(=O)NN
Show InChI InChI=1S/C12H15ClN8O3S2/c1-6(22)20-21-8(18-19-12(21)26-5-10(24)17-14)2-7-4-25-11(15-7)16-9(23)3-13/h4H,2-3,5,14H2,1H3,(H,17,24)(H,20,22)(H,15,16,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 201n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204999
PNG
(4-chloro-N-(3-[2-(2-chloro-acetylamino)-thiazol-4-...)
Show SMILES ClCC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17Cl3N8O4S2/c20-6-14(31)24-18-23-12(8-35-18)5-13-25-28-19(36-9-16(33)27-26-15(32)7-21)30(13)29-17(34)10-1-3-11(22)4-2-10/h1-4,8H,5-7,9H2,(H,26,32)(H,27,33)(H,29,34)(H,23,24,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 224n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205049
PNG
(3-(4-{4-(4-chloro-benzoylamino)-5-[1-phenyl-meth-(...)
Show SMILES OC(=O)CCNc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C25H23ClN8O4S2/c26-18-8-6-17(7-9-18)23(38)33-34-20(12-19-14-39-24(29-19)27-11-10-22(36)37)30-32-25(34)40-15-21(35)31-28-13-16-4-2-1-3-5-16/h1-9,13-14H,10-12,15H2,(H,27,29)(H,31,35)(H,33,38)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 238n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205033
PNG
(2-(4-acetamido-5-((2-acetamidothiazol-4-yl)methyl)...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN)n2NC(C)=O)cs1
Show InChI InChI=1S/C12H16N8O3S2/c1-6(21)14-11-15-8(4-24-11)3-9-17-18-12(20(9)19-7(2)22)25-5-10(23)16-13/h4H,3,5,13H2,1-2H3,(H,16,23)(H,19,22)(H,14,15,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 241n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204995
PNG
(2-(4-benzamido-5-((2-(2-chloroacetamido)thiazol-4-...)
Show SMILES NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C17H17ClN8O3S2/c18-7-13(27)21-16-20-11(8-30-16)6-12-23-24-17(31-9-14(28)22-19)26(12)25-15(29)10-4-2-1-3-5-10/h1-5,8H,6-7,9,19H2,(H,22,28)(H,25,29)(H,20,21,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 246n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205061
PNG
((E)-2-(5-((2-benzamidothiazol-4-yl)methyl)-4-(4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC(=O)NN=Cc1ccccc1
Show InChI InChI=1S/C29H23ClN8O3S2/c30-22-13-11-21(12-14-22)27(41)37-38-24(15-23-17-42-28(32-23)33-26(40)20-9-5-2-6-10-20)34-36-29(38)43-18-25(39)35-31-16-19-7-3-1-4-8-19/h1-14,16-17H,15,18H2,(H,35,39)(H,37,41)(H,32,33,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 246n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204998
PNG
(CHEMBL232077 | N-(3-(2-acetylamino-thiazol-4-ylmet...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)CCl)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C19H18Cl2N8O4S2/c1-10(30)22-18-23-13(8-34-18)6-14-24-27-19(35-9-16(32)26-25-15(31)7-20)29(14)28-17(33)11-2-4-12(21)5-3-11/h2-5,8H,6-7,9H2,1H3,(H,25,31)(H,26,32)(H,28,33)(H,22,23,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204996
PNG
(3-[4-(4-acetylamino-5-{2-[N'-(2-chloro-acetyl)-hyd...)
Show SMILES CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)nnc1SCC(=O)NNC(=O)CCl
Show InChI InChI=1S/C15H19ClN8O5S2/c1-8(25)23-24-10(4-9-6-30-14(18-9)17-3-2-13(28)29)19-22-15(24)31-7-12(27)21-20-11(26)5-16/h6H,2-5,7H2,1H3,(H,17,18)(H,20,26)(H,21,27)(H,23,25)(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 264n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205052
PNG
(3-{N-(4-[(4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl...)
Show SMILES Nn1c(Cc2csc(NCCC(O)=O)n2)n[nH]c1=S
Show InChI InChI=1S/C9H12N6O2S2/c10-15-6(13-14-9(15)18)3-5-4-19-8(12-5)11-2-1-7(16)17/h4H,1-3,10H2,(H,11,12)(H,14,18)(H,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 264n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204974
PNG
(3-{4-[5-[2-(N'-benzoyl-hydrazino)-2-oxo-ethylsulfa...)
Show SMILES OC(=O)CCNc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C25H23ClN8O5S2/c26-17-8-6-16(7-9-17)23(39)33-34-19(12-18-13-40-24(28-18)27-11-10-21(36)37)29-32-25(34)41-14-20(35)30-31-22(38)15-4-2-1-3-5-15/h1-9,13H,10-12,14H2,(H,27,28)(H,30,35)(H,31,38)(H,33,39)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 268n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204972
PNG
(2-(4-benzamido-5-((2-benzamidothiazol-4-yl)methyl)...)
Show SMILES NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C22H20N8O3S2/c23-26-18(31)13-35-22-28-27-17(30(22)29-20(33)15-9-5-2-6-10-15)11-16-12-34-21(24-16)25-19(32)14-7-3-1-4-8-14/h1-10,12H,11,13,23H2,(H,26,31)(H,29,33)(H,24,25,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 268n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205039
PNG
(CHEMBL399387 | methyl 2-(5-((2-benzamidothiazol-4-...)
Show SMILES COC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClN6O4S2/c1-34-19(31)13-36-23-28-27-18(30(23)29-21(33)15-7-9-16(24)10-8-15)11-17-12-35-22(25-17)26-20(32)14-5-3-2-4-6-14/h2-10,12H,11,13H2,1H3,(H,29,33)(H,25,26,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205018
PNG
(CHEMBL234556 | N-[3-[2-(N'-acetyl-hydrazino)-2-oxo...)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN8O4S2/c1-14(34)28-30-20(35)13-39-24-31-29-19(33(24)32-22(37)16-7-9-17(25)10-8-16)11-18-12-38-23(26-18)27-21(36)15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,28,34)(H,30,35)(H,32,37)(H,26,27,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205017
PNG
(CHEMBL233334 | N,N'-(methylenebis{sulfanedial-[5-(...)
Show SMILES ClCC(=O)Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(=O)CCl)n4)n3NC(=O)c3ccc(Cl)cc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C31H24Cl4N12O4S4/c32-11-24(48)38-28-36-20(13-52-28)9-22-40-42-30(46(22)44-26(50)16-1-5-18(34)6-2-16)54-15-55-31-43-41-23(10-21-14-53-29(37-21)39-25(49)12-33)47(31)45-27(51)17-3-7-19(35)8-4-17/h1-8,13-14H,9-12,15H2,(H,44,50)(H,45,51)(H,36,38,48)(H,37,39,49)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204968
PNG
(CHEMBL393528 | N-(3-(2-benzoylamino-thiazol-4-ylme...)
Show SMILES ClCC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H20Cl2N8O4S2/c25-11-19(35)30-31-20(36)13-40-24-32-29-18(34(24)33-22(38)15-6-8-16(26)9-7-15)10-17-12-39-23(27-17)28-21(37)14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,30,35)(H,31,36)(H,33,38)(H,27,28,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205046
PNG
(3-{4-[5-[2-(N'-acetyl-hydrazino)-2-oxo-ethylsulfan...)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN8O5S2/c1-11(30)24-26-16(31)10-36-20-27-25-15(8-14-9-35-19(23-14)22-7-6-17(32)33)29(20)28-18(34)12-2-4-13(21)5-3-12/h2-5,9H,6-8,10H2,1H3,(H,22,23)(H,24,30)(H,26,31)(H,28,34)(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 352n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205027
PNG
(CHEMBL392948 | N-(4-{4-acetylamino-5-[2-(N'-acetyl...)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(C)=O
Show InChI InChI=1S/C14H17ClN8O4S2/c1-7(24)18-20-12(27)6-29-14-21-19-10(23(14)22-8(2)25)3-9-5-28-13(16-9)17-11(26)4-15/h5H,3-4,6H2,1-2H3,(H,18,24)(H,20,27)(H,22,25)(H,16,17,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 354n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205006
PNG
(CHEMBL231671 | N-[4-(4-acetylamino-5-{2-[N'-(2-chl...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC(=O)NNC(=O)CCl
Show InChI InChI=1S/C19H19ClN8O4S2/c1-11(29)27-28-14(23-26-19(28)34-10-16(31)25-24-15(30)8-20)7-13-9-33-18(21-13)22-17(32)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,24,30)(H,25,31)(H,27,29)(H,21,22,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 356n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204948
PNG
(CHEMBL437951 | N-[3-{[2-(2-acetylhydrazino)-2-oxoe...)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C19H19ClN8O4S2/c1-11(29)23-25-16(31)10-34-19-26-24-14(7-13-9-33-18(21-13)22-15(30)8-20)28(19)27-17(32)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,23,29)(H,25,31)(H,27,32)(H,21,22,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 356n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204955
PNG
(CHEMBL388906 | methyl 2-(4-benzamido-5-((2-benzami...)
Show SMILES COC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C23H20N6O4S2/c1-33-19(30)14-35-23-27-26-18(29(23)28-21(32)16-10-6-3-7-11-16)12-17-13-34-22(24-17)25-20(31)15-8-4-2-5-9-15/h2-11,13H,12,14H2,1H3,(H,28,32)(H,24,25,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 364n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204958
PNG
(CHEMBL231668 | N-(4-{4-acetylamino-5-[2-(N'-benzoy...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC(=O)NNC(=O)c1ccccc1
Show InChI InChI=1S/C19H19ClN8O4S2/c1-11(29)27-28-14(7-13-9-33-18(21-13)22-15(30)8-20)23-26-19(28)34-10-16(31)24-25-17(32)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,24,31)(H,25,32)(H,27,29)(H,21,22,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 365n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205070
PNG
(CHEMBL232522 | methyl 2-(5-((2-acetamidothiazol-4-...)
Show SMILES COC(=O)CSc1nnc(Cc2csc(NC(C)=O)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN6O4S2/c1-10(26)20-17-21-13(8-30-17)7-14-22-23-18(31-9-15(27)29-2)25(14)24-16(28)11-3-5-12(19)6-4-11/h3-6,8H,7,9H2,1-2H3,(H,24,28)(H,20,21,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205008
PNG
(CHEMBL398141 | N,N'-(methylenebis{sulfanedial-[5-(...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(C)=O)n4)n3NC(=O)c3ccc(Cl)cc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C31H26Cl2N12O4S4/c1-16(46)34-28-36-22(13-50-28)11-24-38-40-30(44(24)42-26(48)18-3-7-20(32)8-4-18)52-15-53-31-41-39-25(12-23-14-51-29(37-23)35-17(2)47)45(31)43-27(49)19-5-9-21(33)10-6-19/h3-10,13-14H,11-12,15H2,1-2H3,(H,42,48)(H,43,49)(H,34,36,46)(H,35,37,47)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 382n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205007
PNG
(CHEMBL234777 | N-(4-{4-acetylamino-5-[2-(N'-acetyl...)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(C)=O)n2)n1NC(C)=O
Show InChI InChI=1S/C14H18N8O4S2/c1-7(23)15-13-16-10(5-27-13)4-11-18-20-14(22(11)21-9(3)25)28-6-12(26)19-17-8(2)24/h5H,4,6H2,1-3H3,(H,17,24)(H,19,26)(H,21,25)(H,15,16,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 384n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205044
PNG
(CHEMBL243209 | N-{4-[(4-amino-5-sulfanyl-4H-1,2,4-...)
Show SMILES Nn1c(Cc2csc(NC(=O)CCl)n2)n[nH]c1=S
Show InChI InChI=1S/C8H9ClN6OS2/c9-2-6(16)12-7-11-4(3-18-7)1-5-13-14-8(17)15(5)10/h3H,1-2,10H2,(H,14,17)(H,11,12,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205003
PNG
(CHEMBL242151 | N-(3-((2-acetamidothiazol-4-yl)meth...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C17H15N7O2S2/c1-11(25)19-16-20-13(10-28-16)9-14-21-22-17(27-8-7-18)24(14)23-15(26)12-5-3-2-4-6-12/h2-6,10H,8-9H2,1H3,(H,23,26)(H,19,20,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 395n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205013
PNG
(CHEMBL394335 | N-(4-{4-acetylamino-5-[2-(N'-benzoy...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC(=O)NNC(=O)c1ccccc1
Show InChI InChI=1S/C24H22N8O4S2/c1-15(33)31-32-19(12-18-13-37-23(25-18)26-21(35)16-8-4-2-5-9-16)27-30-24(32)38-14-20(34)28-29-22(36)17-10-6-3-7-11-17/h2-11,13H,12,14H2,1H3,(H,28,34)(H,29,36)(H,31,33)(H,25,26,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 413n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204971
PNG
(CHEMBL233539 | N-[4-(4-acetylamino-5-cyanomethylsu...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC#N
Show InChI InChI=1S/C12H12ClN7O2S2/c1-7(21)19-20-9(17-18-12(20)23-3-2-14)4-8-6-24-11(15-8)16-10(22)5-13/h6H,3-5H2,1H3,(H,19,21)(H,15,16,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 415n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204977
PNG
(CHEMBL244318 | N-[3-{[2-(2-benzoylhydrazino)-2-oxo...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C24H22N8O4S2/c1-15(33)25-23-26-18(13-37-23)12-19-27-30-24(32(19)31-22(36)17-10-6-3-7-11-17)38-14-20(34)28-29-21(35)16-8-4-2-5-9-16/h2-11,13H,12,14H2,1H3,(H,28,34)(H,29,35)(H,31,36)(H,25,26,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 421n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204981
PNG
(3-(4-((4-(4-chlorobenzamido)-5-(cyanomethylthio)-4...)
Show SMILES OC(=O)CCNc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C18H16ClN7O3S2/c19-12-3-1-11(2-4-12)16(29)25-26-14(23-24-18(26)30-8-6-20)9-13-10-31-17(22-13)21-7-5-15(27)28/h1-4,10H,5,7-9H2,(H,21,22)(H,25,29)(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 426n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205004
PNG
(3-(4-{4-benzoylamino-5-[2-(N'-benzoyl-hydrazino)-2...)
Show SMILES OC(=O)CCNc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C25H24N8O5S2/c34-20(29-30-22(37)16-7-3-1-4-8-16)15-40-25-31-28-19(33(25)32-23(38)17-9-5-2-6-10-17)13-18-14-39-24(27-18)26-12-11-21(35)36/h1-10,14H,11-13,15H2,(H,26,27)(H,29,34)(H,30,37)(H,32,38)(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 432n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204954
PNG
(3-(4-((4-acetamido-5-mercapto-4H-1,2,4-triazol-3-y...)
Show SMILES CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)n[nH]c1=S
Show InChI InChI=1S/C11H14N6O3S2/c1-6(18)16-17-8(14-15-11(17)21)4-7-5-22-10(13-7)12-3-2-9(19)20/h5H,2-4H2,1H3,(H,12,13)(H,15,21)(H,16,18)(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 436n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204964
PNG
(CHEMBL234572 | N-(4-{4-acetylamino-5-[2-(N'-benzoy...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(C)=O)cs1
Show InChI InChI=1S/C19H20N8O4S2/c1-11(28)20-18-21-14(9-32-18)8-15-22-25-19(27(15)26-12(2)29)33-10-16(30)23-24-17(31)13-6-4-3-5-7-13/h3-7,9H,8,10H2,1-2H3,(H,23,30)(H,24,31)(H,26,29)(H,20,21,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 436n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205071
PNG
(CHEMBL232320 | methyl 2-(5-((2-(2-chloroacetamido)...)
Show SMILES COC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H16Cl2N6O4S2/c1-30-15(28)9-32-18-24-23-13(6-12-8-31-17(21-12)22-14(27)7-19)26(18)25-16(29)10-2-4-11(20)5-3-10/h2-5,8H,6-7,9H2,1H3,(H,25,29)(H,21,22,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 133 total )  |  Next  |  Last  >>
Jump to: