BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1416 hits Enz. Inhib. hit(s) with Target = 'Cyclin-Dependent Kinase 9 (CDK9)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM120943
PNG
(US8716296, 89)
Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)COc2ccc(Cl)cn2)ncn1
Show InChI InChI=1S/C18H14ClFN4O3/c1-26-15-4-3-12(20)6-13(15)14-7-16(23-10-22-14)24-17(25)9-27-18-5-2-11(19)8-21-18/h2-8,10H,9H2,1H3,(H,22,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.00500n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM120941
PNG
(US8716296, 82)
Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)Cc2cccnc2)ncn1
Show InChI InChI=1S/C18H15FN4O2/c1-25-16-5-4-13(19)8-14(16)15-9-17(22-11-21-15)23-18(24)7-12-3-2-6-20-10-12/h2-6,8-11H,7H2,1H3,(H,21,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 0.0150n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM120934
PNG
(US8716296, 2)
Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)C2CCCNC2)ncn1
Show InChI InChI=1S/C17H19FN4O2/c1-24-15-5-4-12(18)7-13(15)14-8-16(21-10-20-14)22-17(23)11-3-2-6-19-9-11/h4-5,7-8,10-11,19H,2-3,6,9H2,1H3,(H,20,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 0.0180n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM120936
PNG
(US8716296, 5 | US8716296, 6)
Show SMILES COc1ccccc1-c1cc(NC(=O)C2CCC(=O)NC2)ncn1
Show InChI InChI=1S/C17H18N4O3/c1-24-14-5-3-2-4-12(14)13-8-15(20-10-19-13)21-17(23)11-6-7-16(22)18-9-11/h2-5,8,10-11H,6-7,9H2,1H3,(H,18,22)(H,19,20,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 0.0190n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM120942
PNG
(US8716296, 83)
Show SMILES COc1ccc(F)cc1-c1cc(NC(=O)Cc2ccncc2)ncn1
Show InChI InChI=1S/C18H15FN4O2/c1-25-16-3-2-13(19)9-14(16)15-10-17(22-11-21-15)23-18(24)8-12-4-6-20-7-5-12/h2-7,9-11H,8H2,1H3,(H,21,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 0.0290n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM120935
PNG
(US8716296, 3)
Show SMILES COc1cccc(F)c1-c1cc(NC(=O)C2CCCNC2)ncn1
Show InChI InChI=1S/C17H19FN4O2/c1-24-14-6-2-5-12(18)16(14)13-8-15(21-10-20-13)22-17(23)11-4-3-7-19-9-11/h2,5-6,8,10-11,19H,3-4,7,9H2,1H3,(H,20,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 0.0390n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM120939
PNG
(US8716296, 52)
Show SMILES COc1ccccc1-c1cc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)ncn1
Show InChI InChI=1S/C20H20N4O4S/c1-13-8-9-14(10-16(13)24-29(3,26)27)20(25)23-19-11-17(21-12-22-19)15-6-4-5-7-18(15)28-2/h4-12,24H,1-3H3,(H,21,22,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 0.116n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM120936
PNG
(US8716296, 5 | US8716296, 6)
Show SMILES COc1ccccc1-c1cc(NC(=O)C2CCC(=O)NC2)ncn1
Show InChI InChI=1S/C17H18N4O3/c1-24-14-5-3-2-4-12(14)13-8-15(20-10-19-13)21-17(23)11-6-7-16(22)18-9-11/h2-5,8,10-11H,6-7,9H2,1H3,(H,18,22)(H,19,20,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 0.173n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180827
PNG
(US9133171, 32)
Show SMILES COc1cc(CS(C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
Show InChI InChI=1/C21H19F2N5O3S/c1-30-16-7-13(11-32(3,29)26-12-24)6-15(9-16)27-21-25-10-18(23)20(28-21)17-5-4-14(22)8-19(17)31-2/h4-10H,11H2,1-3H3,(H,25,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 1n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM187124
PNG
(US9670161, 5 N-{6-(Difluoromethyl)-4-[(methylsulfo...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)F)ncc1F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM120940
PNG
(US8716296, 53)
Show SMILES COc1ccccc1-c1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)ncn1
Show InChI InChI=1S/C19H18N4O4S/c1-27-17-9-4-3-8-15(17)16-11-18(21-12-20-16)22-19(24)13-6-5-7-14(10-13)23-28(2,25)26/h3-12,23H,1-2H3,(H,20,21,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 1.08n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM120938
PNG
(US8716296, 51)
Show SMILES COc1ccccc1-c1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)ncn1
Show InChI InChI=1S/C19H18N4O4S/c1-27-17-6-4-3-5-15(17)16-11-18(21-12-20-16)22-19(24)13-7-9-14(10-8-13)23-28(2,25)26/h3-12,23H,1-2H3,(H,20,21,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 1.25n/an/an/an/an/an/a



Ingenium Pharmaceuticals GmbH

US Patent


Assay Description
All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 μl reaction volume. The reaction mixt...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM25036
PNG
(CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...)
Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.40n/an/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM187120
PNG
(US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180843
PNG
(US9133171, 48)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)ncc1F
Show InChI InChI=1/C22H19F2N5O2S/c1-31-20-10-15(23)5-8-18(20)21-19(24)11-26-22(29-21)28-16-4-2-3-14(9-16)12-32(30,27-13-25)17-6-7-17/h2-5,8-11,17H,6-7,12H2,1H3,(H,26,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM187120
PNG
(US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM187121
PNG
(US9670161, 2 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(C)n2)ncc1F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM187122
PNG
(US9670161, 3 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(F)n2)ncc1F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM187124
PNG
(US9670161, 5 N-{6-(Difluoromethyl)-4-[(methylsulfo...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)F)ncc1F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180851
PNG
(US9133171, 56)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Cl)cc(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1/C20H16ClF2N5O2S/c1-30-18-8-14(22)3-4-16(18)19-17(23)9-25-20(28-19)27-15-6-12(5-13(21)7-15)10-31(2,29)26-11-24/h3-9H,10H2,1-2H3,(H,25,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180853
PNG
(US9133171, 58)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(C)cc(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1/C21H19F2N5O2S/c1-13-6-14(11-31(3,29)26-12-24)8-16(7-13)27-21-25-10-18(23)20(28-21)17-5-4-15(22)9-19(17)30-2/h4-10H,11H2,1-3H3,(H,25,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180815
PNG
(US9133171, 20)
Show SMILES CCS(=O)(Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1)=NC#N
Show InChI InChI=1/C21H19F2N5O2S/c1-3-31(29,26-13-24)12-14-5-4-6-16(9-14)27-21-25-11-18(23)20(28-21)17-8-7-15(22)10-19(17)30-2/h4-11H,3,12H2,1-2H3,(H,25,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180819
PNG
(US9133171, 24)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(F)c(F)c(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1/C20H15F4N5O2S/c1-31-17-6-12(21)3-4-14(17)19-16(23)8-26-20(29-19)28-13-5-11(18(24)15(22)7-13)9-32(2,30)27-10-25/h3-8H,9H2,1-2H3,(H,26,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180824
PNG
(US9133171, 29 | US9133171, 30 | US9133171, 31)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
Show InChI InChI=1/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180799
PNG
(US9133171, 13 | US9133171, 14 | US9133171, 4)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OCc2ccccc2)c1
Show InChI InChI=1/C25H22F2N4O2S/c1-34(28,32)16-18-8-5-9-20(12-18)30-25-29-14-22(27)24(31-25)21-11-10-19(26)13-23(21)33-15-17-6-3-2-4-7-17/h2-14,28H,15-16H2,1H3,(H,29,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180823
PNG
(US9133171, 28)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1/C20H16BrF2N5O2S/c1-30-18-8-14(22)3-4-16(18)19-17(23)9-25-20(28-19)27-15-6-12(5-13(21)7-15)10-31(2,29)26-11-24/h3-9H,10H2,1-2H3,(H,25,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180824
PNG
(US9133171, 29 | US9133171, 30 | US9133171, 31)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
Show InChI InChI=1/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180824
PNG
(US9133171, 29 | US9133171, 30 | US9133171, 31)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
Show InChI InChI=1/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM167858
PNG
(US9073922, 355)
Show SMILES Fc1cccc(CNc2nc(c(F)cc2F)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
Show InChI InChI=1S/C24H22F3N5/c25-16-3-1-2-14(10-16)13-30-24-20(27)12-19(26)22(32-24)17-6-9-29-23-18(17)11-21(31-23)15-4-7-28-8-5-15/h1-3,6,9-12,15,28H,4-5,7-8,13H2,(H,29,31)(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



AbbVie, Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM167859
PNG
(US9073922, 356)
Show SMILES CNC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(OCc2cccc(F)c2)n1
Show InChI InChI=1S/C25H23FN6O2/c1-27-25(33)32-9-6-17(7-10-32)21-12-20-19(5-8-29-24(20)31-21)22-13-28-14-23(30-22)34-15-16-3-2-4-18(26)11-16/h2-6,8,11-14H,7,9-10,15H2,1H3,(H,27,33)(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



AbbVie, Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM167860
PNG
(US9073922, 357)
Show SMILES OCC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(OCc2cccc(F)c2)n1
Show InChI InChI=1S/C25H22FN5O3/c26-18-3-1-2-16(10-18)15-34-23-13-27-12-22(29-23)19-4-7-28-25-20(19)11-21(30-25)17-5-8-31(9-6-17)24(33)14-32/h1-5,7,10-13,32H,6,8-9,14-15H2,(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



AbbVie, Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180836
PNG
(US9133171, 41)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)C(F)(F)F)ncc1F
Show InChI InChI=1/C20H17F5N4O2S/c1-31-17-8-13(21)3-4-15(17)18-16(22)9-27-19(29-18)28-14-6-11(10-32(2,26)30)5-12(7-14)20(23,24)25/h3-9,26H,10H2,1-2H3,(H,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180837
PNG
(US9133171, 42)
Show SMILES CCS(=O)(Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1)=NC#N
Show InChI InChI=1/C21H18F3N5O2S/c1-3-32(30,27-12-25)11-13-6-15(23)8-16(7-13)28-21-26-10-18(24)20(29-21)17-5-4-14(22)9-19(17)31-2/h4-10H,3,11H2,1-2H3,(H,26,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM50186373
PNG
(CHEMBL424696 | N-(5-(2-(cyclohexyloxy)pyrimidin-4-...)
Show SMILES C1CCC(CC1)Oc1nccc(n1)-c1cnc(Nc2ccccn2)s1
Show InChI InChI=1S/C18H19N5OS/c1-2-6-13(7-3-1)24-17-20-11-9-14(22-17)15-12-21-18(25-15)23-16-8-4-5-10-19-16/h4-5,8-13H,1-3,6-7H2,(H,19,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK9


Bioorg Med Chem Lett 16: 3751-4 (2006)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM187121
PNG
(US9670161, 2 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(C)n2)ncc1F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM164883
PNG
(US9067888, 33)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1
Show InChI InChI=1/C21H24FN3O3/c1-13(26)24-17-5-3-4-15(10-17)21(27)25-20-11-14(8-9-23-20)18-7-6-16(22)12-19(18)28-2/h6-9,11-12,15,17H,3-5,10H2,1-2H3,(H,24,26)(H,23,25,27)/t15-,17+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM187122
PNG
(US9670161, 3 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(F)n2)ncc1F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM187123
PNG
(US9670161, 4 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)(F)F)ncc1F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM258868
PNG
(US9499492, 20)
Show SMILES COc1cc(CS(C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1/C20H16F3N5O2S/c1-30-15-6-12(10-31(2,29)26-11-24)5-14(8-15)27-20-25-9-18(23)19(28-20)16-4-3-13(21)7-17(16)22/h3-9H,10H2,1-2H3,(H,25,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 1a: Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were pu...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180836
PNG
(US9133171, 41)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)C(F)(F)F)ncc1F
Show InChI InChI=1/C20H17F5N4O2S/c1-31-17-8-13(21)3-4-15(17)18-16(22)9-27-19(29-18)28-14-6-11(10-32(2,26)30)5-12(7-14)20(23,24)25/h3-9,26H,10H2,1-2H3,(H,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180856
PNG
(US9133171, 61 | US9133171, 62 | US9133171, 63)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)S(F)(F)(F)(F)F)ncc1F
Show InChI InChI=1/C19H17F7N4O2S2/c1-32-17-7-12(20)3-4-15(17)18-16(21)9-28-19(30-18)29-13-5-11(10-33(2,27)31)6-14(8-13)34(22,23,24,25)26/h3-9,27H,10H2,1-2H3,(H,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180859
PNG
(US9133171, 64)
Show SMILES COCCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
Show InChI InChI=1/C23H23F3N4O5S/c1-33-6-7-35-23(31)30-36(3,32)13-14-8-16(25)10-17(9-14)28-22-27-12-19(26)21(29-22)18-5-4-15(24)11-20(18)34-2/h4-5,8-12H,6-7,13H2,1-3H3,(H,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180812
PNG
(US9133171, 17 | US9133171, 18 | US9133171, 19)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cccc(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1/C20H17F2N5O2S/c1-29-18-9-14(21)6-7-16(18)19-17(22)10-24-20(27-19)26-15-5-3-4-13(8-15)11-30(2,28)25-12-23/h3-10H,11H2,1-2H3,(H,24,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180824
PNG
(US9133171, 29 | US9133171, 30 | US9133171, 31)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
Show InChI InChI=1/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180819
PNG
(US9133171, 24)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(F)c(F)c(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1/C20H15F4N5O2S/c1-31-17-6-12(21)3-4-14(17)19-16(23)8-26-20(29-19)28-13-5-11(18(24)15(22)7-13)9-32(2,30)27-10-25/h3-8H,9H2,1-2H3,(H,26,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180824
PNG
(US9133171, 29 | US9133171, 30 | US9133171, 31)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F
Show InChI InChI=1/C19H17BrF2N4O2S/c1-28-17-8-13(21)3-4-15(17)18-16(22)9-24-19(26-18)25-14-6-11(5-12(20)7-14)10-29(2,23)27/h3-9,23H,10H2,1-2H3,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180828
PNG
(US9133171, 33 | US9133171, 34 | US9133171, 35)
Show SMILES COc1cc(CS(C)(=N)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
Show InChI InChI=1/C20H20F2N4O3S/c1-28-15-7-12(11-30(3,23)27)6-14(9-15)25-20-24-10-17(22)19(26-20)16-5-4-13(21)8-18(16)29-2/h4-10,23H,11H2,1-3H3,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180853
PNG
(US9133171, 58)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(C)cc(CS(C)(=O)=NC#N)c2)ncc1F
Show InChI InChI=1/C21H19F2N5O2S/c1-13-6-14(11-31(3,29)26-12-24)8-16(7-13)27-21-25-10-18(23)20(28-21)17-5-4-15(22)9-19(17)30-2/h4-10H,11H2,1-3H3,(H,25,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180856
PNG
(US9133171, 61 | US9133171, 62 | US9133171, 63)
Show SMILES COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(c2)S(F)(F)(F)(F)F)ncc1F
Show InChI InChI=1/C19H17F7N4O2S2/c1-32-17-7-12(20)3-4-15(17)18-16(21)9-28-19(30-18)29-13-5-11(10-33(2,27)31)6-14(8-13)34(22,23,24,25)26/h3-9,27H,10H2,1-2H3,(H,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM180859
PNG
(US9133171, 64)
Show SMILES COCCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2OC)c1
Show InChI InChI=1/C23H23F3N4O5S/c1-33-6-7-35-23(31)30-36(3,32)13-14-8-16(25)10-17(9-14)28-22-27-12-19(26)21(29-22)18-5-4-15(24)11-20(18)34-2/h4-5,8-12H,6-7,13H2,1-3H3,(H,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...


Citation and Details
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1416 total )  |  Next  |  Last  >>
Jump to: