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SMILES: CC1(C)OCCn2nc3c(F)cc(cc3c12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl

InChI Key: InChIKey=ZYOVPUHJYUVVBM-IAGOWNOFSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 462109   
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 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM462109
PNG
(US10766884, Example A26 | US11220494, Example A26)
Show SMILES CC1(C)OCCn2nc3c(F)cc(cc3c12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl |r|
Show InChI InChI=1S/C22H26ClFN6O4S/c1-22(2)20-13-8-12(9-15(24)19(13)28-30(20)6-7-34-22)18-14(23)10-25-21(27-18)26-16-4-5-29(11-17(16)31)35(3,32)33/h8-10,16-17,31H,4-7,11H2,1-3H3,(H,25,26,27)/t16-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.200n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM462109
PNG
(US10766884, Example A26 | US11220494, Example A26)
Show SMILES CC1(C)OCCn2nc3c(F)cc(cc3c12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl |r|
Show InChI InChI=1S/C22H26ClFN6O4S/c1-22(2)20-13-8-12(9-15(24)19(13)28-30(20)6-7-34-22)18-14(23)10-25-21(27-18)26-16-4-5-29(11-17(16)31)35(3,32)33/h8-10,16-17,31H,4-7,11H2,1-3H3,(H,25,26,27)/t16-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.200n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM462109
PNG
(US10766884, Example A26 | US11220494, Example A26)
Show SMILES CC1(C)OCCn2nc3c(F)cc(cc3c12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl |r|
Show InChI InChI=1S/C22H26ClFN6O4S/c1-22(2)20-13-8-12(9-15(24)19(13)28-30(20)6-7-34-22)18-14(23)10-25-21(27-18)26-16-4-5-29(11-17(16)31)35(3,32)33/h8-10,16-17,31H,4-7,11H2,1-3H3,(H,25,26,27)/t16-,17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
4.20n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM462109
PNG
(US10766884, Example A26 | US11220494, Example A26)
Show SMILES CC1(C)OCCn2nc3c(F)cc(cc3c12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl |r|
Show InChI InChI=1S/C22H26ClFN6O4S/c1-22(2)20-13-8-12(9-15(24)19(13)28-30(20)6-7-34-22)18-14(23)10-25-21(27-18)26-16-4-5-29(11-17(16)31)35(3,32)33/h8-10,16-17,31H,4-7,11H2,1-3H3,(H,25,26,27)/t16-,17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair