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SMILES: CC(C)NCc1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl

InChI Key: InChIKey=ZSKBQSGNPKROLG-UYAOXDASSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 462226   
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))
BDBM462226
PNG
(US10766884, Example H10 | US11220494, Example H10)
Show SMILES CC(C)NCc1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C24H33ClFN7O3S/c1-13(2)27-11-21-30-23-17(26)8-15(9-19(23)33(21)14(3)4)22-16(25)10-28-24(31-22)29-18-6-7-32(12-20(18)34)37(5,35)36/h8-10,13-14,18,20,27,34H,6-7,11-12H2,1-5H3,(H,28,29,31)/t18-,20-/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
0.5n/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)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM462226
PNG
(US10766884, Example H10 | US11220494, Example H10)
Show SMILES CC(C)NCc1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C24H33ClFN7O3S/c1-13(2)27-11-21-30-23-17(26)8-15(9-19(23)33(21)14(3)4)22-16(25)10-28-24(31-22)29-18-6-7-32(12-20(18)34)37(5,35)36/h8-10,13-14,18,20,27,34H,6-7,11-12H2,1-5H3,(H,28,29,31)/t18-,20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM462226
PNG
(US10766884, Example H10 | US11220494, Example H10)
Show SMILES CC(C)NCc1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C24H33ClFN7O3S/c1-13(2)27-11-21-30-23-17(26)8-15(9-19(23)33(21)14(3)4)22-16(25)10-28-24(31-22)29-18-6-7-32(12-20(18)34)37(5,35)36/h8-10,13-14,18,20,27,34H,6-7,11-12H2,1-5H3,(H,28,29,31)/t18-,20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
16.4n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM462226
PNG
(US10766884, Example H10 | US11220494, Example H10)
Show SMILES CC(C)NCc1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C24H33ClFN7O3S/c1-13(2)27-11-21-30-23-17(26)8-15(9-19(23)33(21)14(3)4)22-16(25)10-28-24(31-22)29-18-6-7-32(12-20(18)34)37(5,35)36/h8-10,13-14,18,20,27,34H,6-7,11-12H2,1-5H3,(H,28,29,31)/t18-,20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
16.4n/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)

More data for this
Ligand-Target Pair