Found 359 hits with Last Name = 'keller' and Initial = 'pr' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
6-phosphogluconate dehydrogenase, decarboxylating
(Trypanosoma brucei brucei (strain 927/4 GUTat10.1)) | BDBM50148767
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
More data for this
Ligand-Target Pair | |
6-phosphogluconate dehydrogenase, decarboxylating
(Trypanosoma brucei brucei (strain 927/4 GUTat10.1)) | BDBM50148780
(((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dio...)Show InChI InChI=1S/C7H14NO8P/c1-7(2)15-4(3-14-17(11,12)13)5(16-7)6(9)8-10/h4-5,10H,3H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
More data for this
Ligand-Target Pair | |
6-phosphogluconate dehydrogenase, decarboxylating
(Trypanosoma brucei brucei (strain 927/4 GUTat10.1)) | BDBM50148765
(1-(hydroxyamino)-1-oxo-4-(phosphonooxy)butane-2,3-...)Show SMILES CC(=O)O[C@H](COP(O)(O)=O)[C@@H](OC(C)=O)C(=O)NO Show InChI InChI=1S/C8H14NO10P/c1-4(10)18-6(3-17-20(14,15)16)7(8(12)9-13)19-5(2)11/h6-7,13H,3H2,1-2H3,(H,9,12)(H2,14,15,16)/t6-,7-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate isomerase
(Oryctolagus cuniculus) | BDBM50342610
((2R,3R,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxo...)Show SMILES ONC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O |r| Show InChI InChI=1S/C5H12NO9P/c7-2(1-15-16(12,13)14)3(8)4(9)5(10)6-11/h2-4,7-9,11H,1H2,(H,6,10)(H2,12,13,14)/t2-,3-,4+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| MMDB
PDB
Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of rabbit cytosolic phosphoglucose isomerase |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
6-phosphogluconate dehydrogenase, decarboxylating
(Ovis aries) | BDBM50148765
(1-(hydroxyamino)-1-oxo-4-(phosphonooxy)butane-2,3-...)Show SMILES CC(=O)O[C@H](COP(O)(O)=O)[C@@H](OC(C)=O)C(=O)NO Show InChI InChI=1S/C8H14NO10P/c1-4(10)18-6(3-17-20(14,15)16)7(8(12)9-13)19-5(2)11/h6-7,13H,3H2,1-2H3,(H,9,12)(H2,14,15,16)/t6-,7-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of sheep 6-phosphogluconate dehydrogenase |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
More data for this
Ligand-Target Pair | |
6-phosphogluconate dehydrogenase, decarboxylating
(Trypanosoma brucei brucei (strain 927/4 GUTat10.1)) | BDBM50148769
((R)-Phosphoric acid mono-((R)-3-carbamoyl-2,3-dihy...)Show InChI InChI=1S/C4H10NO7P/c5-4(8)3(7)2(6)1-12-13(9,10)11/h2-3,6-7H,1H2,(H2,5,8)(H2,9,10,11)/t2-,3-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
More data for this
Ligand-Target Pair | |
Triosephosphate isomerase
(Homo sapiens (Human)) | BDBM50167777
(2-(hydroxyamino)-2-oxoethyl dihydrogen phosphate |...)Show InChI InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8) | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of Triosephosphate isomerase |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
More data for this
Ligand-Target Pair | |
Ribose-5-phosphate isomerase B
(Mycobacterium tuberculosis) | BDBM50148767
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis rpiB |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ribose-5-phosphate isomerase B
(Mycobacterium tuberculosis) | BDBM50148767
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis rpiB |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ribose-5-phosphate isomerase B
(Mycobacterium tuberculosis) | BDBM50148769
((R)-Phosphoric acid mono-((R)-3-carbamoyl-2,3-dihy...)Show InChI InChI=1S/C4H10NO7P/c5-4(8)3(7)2(6)1-12-13(9,10)11/h2-3,6-7H,1H2,(H2,5,8)(H2,9,10,11)/t2-,3-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >3.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis rpiB |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6341
(2-Aminoquinazoline 20 | 8-cyclopentyl-7-methoxy-N-...)Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1 Show InChI InChI=1S/C24H29N5O/c1-30-21-11-6-18-16-26-24(28-23(18)22(21)17-4-2-3-5-17)27-19-7-9-20(10-8-19)29-14-12-25-13-15-29/h6-11,16-17,25H,2-5,12-15H2,1H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
NAEJA Pharmaceutical Inc.
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
Bioorg Med Chem Lett 15: 3881-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6347
(2-Aminoquinazoline 26 | 8-cyclopentyl-2-{[4-(piper...)Show SMILES Oc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1 Show InChI InChI=1S/C23H27N5O/c29-20-10-5-17-15-25-23(27-22(17)21(20)16-3-1-2-4-16)26-18-6-8-19(9-7-18)28-13-11-24-12-14-28/h5-10,15-16,24,29H,1-4,11-14H2,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
NAEJA Pharmaceutical Inc.
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
Bioorg Med Chem Lett 15: 3881-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382321
(CHEMBL2024688)Show SMILES Cc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1 Show InChI InChI=1S/C18H15N5O/c1-11-9-21-23(16-5-3-4-12(2)22-16)17(11)13-6-7-15-14(8-13)18(24)20-10-19-15/h3-10H,1-2H3,(H,19,20,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382322
(CHEMBL2024689)Show SMILES CCc1cc(-c2ccc3ncn(C)c(=O)c3c2)n(n1)-c1cccc(C)n1 Show InChI InChI=1S/C20H19N5O/c1-4-15-11-18(25(23-15)19-7-5-6-13(2)22-19)14-8-9-17-16(10-14)20(26)24(3)12-21-17/h5-12H,4H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6348
(2-Aminoquinazoline 27 | 8-cyclopentyl-2-{[3-fluoro...)Show SMILES Oc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1 Show InChI InChI=1S/C23H26FN5O/c24-18-13-17(6-7-19(18)29-11-9-25-10-12-29)27-23-26-14-16-5-8-20(30)21(22(16)28-23)15-3-1-2-4-15/h5-8,13-15,25,30H,1-4,9-12H2,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
NAEJA Pharmaceutical Inc.
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
Bioorg Med Chem Lett 15: 3881-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6343
(1-(4-{4-[(8-cyclopentyl-7-methoxyquinazolin-2-yl)a...)Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc2c1C1CCCC1 Show InChI InChI=1S/C26H31N5O2/c1-18(32)30-13-15-31(16-14-30)22-10-8-21(9-11-22)28-26-27-17-20-7-12-23(33-2)24(25(20)29-26)19-5-3-4-6-19/h7-12,17,19H,3-6,13-16H2,1-2H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
NAEJA Pharmaceutical Inc.
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
Bioorg Med Chem Lett 15: 3881-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6302
(8-cyclopentyl-6-acetyl-5-methyl-2-{[4-(piperazin-1...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C25H30N6O2/c1-16-21-15-27-25(28-18-7-9-19(10-8-18)30-13-11-26-12-14-30)29-23(21)31(20-5-3-4-6-20)24(33)22(16)17(2)32/h7-10,15,20,26H,3-6,11-14H2,1-2H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2371-87 (2005)
Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6302
(8-cyclopentyl-6-acetyl-5-methyl-2-{[4-(piperazin-1...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C25H30N6O2/c1-16-21-15-27-25(28-18-7-9-19(10-8-18)30-13-11-26-12-14-30)29-23(21)31(20-5-3-4-6-20)24(33)22(16)17(2)32/h7-10,15,20,26H,3-6,11-14H2,1-2H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2388-406 (2005)
Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6344
(2-Aminoquinazoline 23 | 2-amino-1-(4-{4-[(8-cyclop...)Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(=O)CN)nc2c1C1CCCC1 Show InChI InChI=1S/C26H32N6O2/c1-34-22-11-6-19-17-28-26(30-25(19)24(22)18-4-2-3-5-18)29-20-7-9-21(10-8-20)31-12-14-32(15-13-31)23(33)16-27/h6-11,17-18H,2-5,12-16,27H2,1H3,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
NAEJA Pharmaceutical Inc.
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
Bioorg Med Chem Lett 15: 3881-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382324
(CHEMBL2024691)Show SMILES CCc1cnn(c1-c1ccc2nc[nH]c(=O)c2c1)-c1cccc(C)n1 Show InChI InChI=1S/C19H17N5O/c1-3-13-10-22-24(17-6-4-5-12(2)23-17)18(13)14-7-8-16-15(9-14)19(25)21-11-20-16/h4-11H,3H2,1-2H3,(H,20,21,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6346
(2-Aminoquinazoline 25 | 8-cyclopentyl-2-{[4-(morph...)Show SMILES Oc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C1CCCC1 Show InChI InChI=1S/C23H26N4O2/c28-20-10-5-17-15-24-23(26-22(17)21(20)16-3-1-2-4-16)25-18-6-8-19(9-7-18)27-11-13-29-14-12-27/h5-10,15-16,28H,1-4,11-14H2,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
NAEJA Pharmaceutical Inc.
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
Bioorg Med Chem Lett 15: 3881-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382320
(CHEMBL2024687)Show SMILES Cc1cc(-c2ccc3ncn(C)c(=O)c3c2)n(n1)-c1cccc(C)n1 Show InChI InChI=1S/C19H17N5O/c1-12-5-4-6-18(21-12)24-17(9-13(2)22-24)14-7-8-16-15(10-14)19(25)23(3)11-20-16/h4-11H,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6326
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-morpholin-4-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCOCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H28N6O3/c1-15-19-14-26-24(27-20-8-7-18(13-25-20)29-9-11-33-12-10-29)28-22(19)30(17-5-3-4-6-17)23(32)21(15)16(2)31/h7-8,13-14,17H,3-6,9-12H2,1-2H3,(H,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2388-406 (2005)
Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6386
(8-Cyclopentyl-5-methyl-7-oxo-2-(4-piperazin-1-yl-p...)Show SMILES COC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C25H30N6O3/c1-16-20-15-27-25(28-17-7-9-18(10-8-17)30-13-11-26-12-14-30)29-22(20)31(19-5-3-4-6-19)23(32)21(16)24(33)34-2/h7-10,15,19,26H,3-6,11-14H2,1-2H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2371-87 (2005)
Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6342
(2-Aminoquinazoline 21 | 8-cyclopentyl-N-[3-fluoro-...)Show SMILES COc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1 Show InChI InChI=1S/C24H28FN5O/c1-31-21-9-6-17-15-27-24(29-23(17)22(21)16-4-2-3-5-16)28-18-7-8-20(19(25)14-18)30-12-10-26-11-13-30/h6-9,14-16,26H,2-5,10-13H2,1H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
NAEJA Pharmaceutical Inc.
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
Bioorg Med Chem Lett 15: 3881-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382319
(CHEMBL2024686)Show SMILES Cc1cnn(c1-c1ccc2ncn(C)c(=O)c2c1)-c1cccc(C)n1 Show InChI InChI=1S/C19H17N5O/c1-12-10-21-24(17-6-4-5-13(2)22-17)18(12)14-7-8-16-15(9-14)19(25)23(3)11-20-16/h4-11H,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382318
(CHEMBL2024685)Show SMILES Cc1cccc(n1)-n1nccc1-c1ccc2ncn(C=C)c(=O)c2c1 Show InChI InChI=1S/C19H15N5O/c1-3-23-12-20-16-8-7-14(11-15(16)19(23)25)17-9-10-21-24(17)18-6-4-5-13(2)22-18/h3-12H,1H2,2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6301
(6-bromo-8-cyclopentyl-5-methyl-2-{[4-(piperazin-1-...)Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12 Show InChI InChI=1S/C23H27BrN6O/c1-15-19-14-26-23(27-16-6-8-17(9-7-16)29-12-10-25-11-13-29)28-21(19)30(22(31)20(15)24)18-4-2-3-5-18/h6-9,14,18,25H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2388-406 (2005)
Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6321
(6-Acetyl-8-cyclopentyl-5-methyl-2-[5-(4-methyl-pip...)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1 Show InChI InChI=1S/C25H31N7O2/c1-16-20-15-27-25(28-21-9-8-19(14-26-21)31-12-10-30(3)11-13-31)29-23(20)32(18-6-4-5-7-18)24(34)22(16)17(2)33/h8-9,14-15,18H,4-7,10-13H2,1-3H3,(H,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2388-406 (2005)
Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6383
(8-Cyclopentyl-6-iodo-5-methyl-2-(4-piperazin-1-yl-...)Show SMILES Cc1c(I)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12 Show InChI InChI=1S/C23H27IN6O/c1-15-19-14-26-23(27-16-6-8-17(9-7-16)29-12-10-25-11-13-29)28-21(19)30(22(31)20(15)24)18-4-2-3-5-18/h6-9,14,18,25H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2371-87 (2005)
Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382325
(CHEMBL2024693)Show SMILES Cc1cccc(n1)-n1nc2CCCc2c1-c1ccc2nc[nH]c(=O)c2c1 Show InChI InChI=1S/C20H17N5O/c1-12-4-2-7-18(23-12)25-19(14-5-3-6-17(14)24-25)13-8-9-16-15(10-13)20(26)22-11-21-16/h2,4,7-11H,3,5-6H2,1H3,(H,21,22,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6301
(6-bromo-8-cyclopentyl-5-methyl-2-{[4-(piperazin-1-...)Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12 Show InChI InChI=1S/C23H27BrN6O/c1-15-19-14-26-23(27-16-6-8-17(9-7-16)29-12-10-25-11-13-29)28-21(19)30(22(31)20(15)24)18-4-2-3-5-18/h6-9,14,18,25H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2371-87 (2005)
Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6324
(6-Acetyl-8-cyclopentyl-5-methyl-2-(3,4,5,6-tetrahy...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCCCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C25H30N6O2/c1-16-20-15-27-25(28-21-11-10-19(14-26-21)30-12-6-3-7-13-30)29-23(20)31(18-8-4-5-9-18)24(33)22(16)17(2)32/h10-11,14-15,18H,3-9,12-13H2,1-2H3,(H,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2388-406 (2005)
Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6303
(Pyrido-[2,3-d]-pyrimidin-7-one 37 | ethyl 8-cyclop...)Show SMILES CCOC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C26H32N6O3/c1-3-35-25(34)22-17(2)21-16-28-26(30-23(21)32(24(22)33)20-6-4-5-7-20)29-18-8-10-19(11-9-18)31-14-12-27-13-15-31/h8-11,16,20,27H,3-7,12-15H2,1-2H3,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2371-87 (2005)
Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382323
(CHEMBL2024690)Show InChI InChI=1S/C17H13N5O/c1-11-3-2-4-16(21-11)22-15(7-8-20-22)12-5-6-14-13(9-12)17(23)19-10-18-14/h2-10H,1H3,(H,18,19,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6303
(Pyrido-[2,3-d]-pyrimidin-7-one 37 | ethyl 8-cyclop...)Show SMILES CCOC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C26H32N6O3/c1-3-35-25(34)22-17(2)21-16-28-26(30-23(21)32(24(22)33)20-6-4-5-7-20)29-18-8-10-19(11-9-18)31-14-12-27-13-15-31/h8-11,16,20,27H,3-7,12-15H2,1-2H3,(H,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2388-406 (2005)
Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6358
(8-Cyclopentyl-2-(4-piperazin-1-yl-phenylamino)-8H-...)Show SMILES O=c1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n1C1CCCC1 Show InChI InChI=1S/C22H26N6O/c29-20-10-5-16-15-24-22(26-21(16)28(20)19-3-1-2-4-19)25-17-6-8-18(9-7-17)27-13-11-23-12-14-27/h5-10,15,19,23H,1-4,11-14H2,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2371-87 (2005)
Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6334
(2-Aminoquinazoline 12 | N-[3-fluoro-4-(piperazin-1...)Show SMILES COc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C(C)C Show InChI InChI=1S/C22H26FN5O/c1-14(2)20-19(29-3)7-4-15-13-25-22(27-21(15)20)26-16-5-6-18(17(23)12-16)28-10-8-24-9-11-28/h4-7,12-14,24H,8-11H2,1-3H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
NAEJA Pharmaceutical Inc.
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
Bioorg Med Chem Lett 15: 3881-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6276
(8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C23H28N6O/c1-27-12-14-28(15-13-27)19-9-7-18(8-10-19)25-23-24-16-17-6-11-21(30)29(22(17)26-23)20-4-2-3-5-20/h6-11,16,20H,2-5,12-15H2,1H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2371-87 (2005)
Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6356
(8-Cyclopentyl-2-(4-piperidin-1-yl-phenylamino)-8H-...)Show SMILES O=c1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2n1C1CCCC1 Show InChI InChI=1S/C23H27N5O/c29-21-13-8-17-16-24-23(26-22(17)28(21)20-6-2-3-7-20)25-18-9-11-19(12-10-18)27-14-4-1-5-15-27/h8-13,16,20H,1-7,14-15H2,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2371-87 (2005)
Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6335
(2-Aminoquinazoline 14 | 2-amino-1-[4-(4-{[7-methox...)Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(=O)CN)nc2c1C(C)C Show InChI InChI=1S/C24H30N6O2/c1-16(2)22-20(32-3)9-4-17-15-26-24(28-23(17)22)27-18-5-7-19(8-6-18)29-10-12-30(13-11-29)21(31)14-25/h4-9,15-16H,10-14,25H2,1-3H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
NAEJA Pharmaceutical Inc.
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
Bioorg Med Chem Lett 15: 3881-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6355
(8-Cyclopentyl-2-(4-morpholin-4-yl-phenylamino)-8H-...)Show SMILES O=c1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2n1C1CCCC1 Show InChI InChI=1S/C22H25N5O2/c28-20-10-5-16-15-23-22(25-21(16)27(20)19-3-1-2-4-19)24-17-6-8-18(9-7-17)26-11-13-29-14-12-26/h5-10,15,19H,1-4,11-14H2,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2371-87 (2005)
Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2388-406 (2005)
Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6339
(2-Aminoquinazoline 18 | 8-cyclopentyl-7-methoxy-N-...)Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2c1C1CCCC1 Show InChI InChI=1S/C25H30N4O/c1-30-22-14-9-19-17-26-25(28-24(19)23(22)18-7-3-4-8-18)27-20-10-12-21(13-11-20)29-15-5-2-6-16-29/h9-14,17-18H,2-8,15-16H2,1H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
NAEJA Pharmaceutical Inc.
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
Bioorg Med Chem Lett 15: 3881-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6330
(2-Aminoquinazoline 8 | N-[4-(3-aminopyrrolidin-1-y...)Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCC(N)C3)nc2c1C(C)C Show InChI InChI=1S/C22H27N5O/c1-14(2)20-19(28-3)9-4-15-12-24-22(26-21(15)20)25-17-5-7-18(8-6-17)27-11-10-16(23)13-27/h4-9,12,14,16H,10-11,13,23H2,1-3H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
NAEJA Pharmaceutical Inc.
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
Bioorg Med Chem Lett 15: 3881-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM6253
(8-Cyclopentyl-2-phenylamino-8H-pyrido[2,3-d]pyrimi...)Show InChI InChI=1S/C18H18N4O/c23-16-11-10-13-12-19-18(20-14-6-2-1-3-7-14)21-17(13)22(16)15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9H2,(H,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2388-406 (2005)
Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6323
(6-Acetyl-8-cyclopentyl-2-(5-[1,4]diazepan-1-yl-pyr...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C25H31N7O2/c1-16-20-15-28-25(29-21-9-8-19(14-27-21)31-12-5-10-26-11-13-31)30-23(20)32(18-6-3-4-7-18)24(34)22(16)17(2)33/h8-9,14-15,18,26H,3-7,10-13H2,1-2H3,(H,27,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2388-406 (2005)
Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6286
(8-Cyclohexyl-2-(5-piperazin-1-yl-pyridin-2-ylamino...)Show SMILES O=c1ccc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCCC1 Show InChI InChI=1S/C22H27N7O/c30-20-9-6-16-14-25-22(27-21(16)29(20)17-4-2-1-3-5-17)26-19-8-7-18(15-24-19)28-12-10-23-11-13-28/h6-9,14-15,17,23H,1-5,10-13H2,(H,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2388-406 (2005)
Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50382317
(CHEMBL2024684)Show InChI InChI=1S/C18H15N5O/c1-12-4-3-5-17(21-12)23-16(8-9-20-23)13-6-7-15-14(10-13)18(24)22(2)11-19-15/h3-11H,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK5 |
Bioorg Med Chem Lett 22: 3392-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.013
BindingDB Entry DOI: 10.7270/Q2QC04H9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C]
(Homo sapiens (Human)) | BDBM6292
(8-Cyclopentyl-6-hydroxymethyl-2-(5-piperazin-1-ylp...)Show SMILES OCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C22H27N7O2/c30-14-16-11-15-12-25-22(27-20(15)29(21(16)31)17-3-1-2-4-17)26-19-6-5-18(13-24-19)28-9-7-23-8-10-28/h5-6,11-13,17,23,30H,1-4,7-10,14H2,(H,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Pfizer
| Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in... |
J Med Chem 48: 2388-406 (2005)
Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q21J97Z9 |
More data for this
Ligand-Target Pair | |
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