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BDBM370114 8-[(1R,3R)-3-hydroxycyclohexyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]-amino}pyrido[2,3-d]pyrimidin-7(8H)-one::US10233188, Example 3::US10800783, Example 3

SMILES: CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@H](O)C3)c2n1

InChI Key: InChIKey=VXSBVQGQHGROBA-HZPDHXFCSA-N

Data: 6 KI

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 6 hits for monomerid = 370114   
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 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370114
PNG
(8-[(1R,3R)-3-hydroxycyclohexyl]-2-{[1-(methylsulfo...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@H](O)C3)c2n1 |r|
Show InChI InChI=1S/C19H27N5O4S/c1-29(27,28)23-9-7-14(8-10-23)21-19-20-12-13-5-6-17(26)24(18(13)22-19)15-3-2-4-16(25)11-15/h5-6,12,14-16,25H,2-4,7-11H2,1H3,(H,20,21,22)/t15-,16-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.260n/an/an/an/an/an/an/an/a



CNRS



Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370114
PNG
(8-[(1R,3R)-3-hydroxycyclohexyl]-2-{[1-(methylsulfo...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@H](O)C3)c2n1 |r|
Show InChI InChI=1S/C19H27N5O4S/c1-29(27,28)23-9-7-14(8-10-23)21-19-20-12-13-5-6-17(26)24(18(13)22-19)15-3-2-4-16(25)11-15/h5-6,12,14-16,25H,2-4,7-11H2,1H3,(H,20,21,22)/t15-,16-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.260n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


US Patent US10800783 (2020)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1


(Homo sapiens (Human)-Mus musculus (mouse))
BDBM370114
PNG
(8-[(1R,3R)-3-hydroxycyclohexyl]-2-{[1-(methylsulfo...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@H](O)C3)c2n1 |r|
Show InChI InChI=1S/C19H27N5O4S/c1-29(27,28)23-9-7-14(8-10-23)21-19-20-12-13-5-6-17(26)24(18(13)22-19)15-3-2-4-16(25)11-15/h5-6,12,14-16,25H,2-4,7-11H2,1H3,(H,20,21,22)/t15-,16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.17n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


US Patent US10800783 (2020)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1


(Homo sapiens (Human)-Mus musculus (mouse))
BDBM370114
PNG
(8-[(1R,3R)-3-hydroxycyclohexyl]-2-{[1-(methylsulfo...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@H](O)C3)c2n1 |r|
Show InChI InChI=1S/C19H27N5O4S/c1-29(27,28)23-9-7-14(8-10-23)21-19-20-12-13-5-6-17(26)24(18(13)22-19)15-3-2-4-16(25)11-15/h5-6,12,14-16,25H,2-4,7-11H2,1H3,(H,20,21,22)/t15-,16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.17n/an/an/an/an/an/an/an/a



CNRS



Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM370114
PNG
(8-[(1R,3R)-3-hydroxycyclohexyl]-2-{[1-(methylsulfo...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@H](O)C3)c2n1 |r|
Show InChI InChI=1S/C19H27N5O4S/c1-29(27,28)23-9-7-14(8-10-23)21-19-20-12-13-5-6-17(26)24(18(13)22-19)15-3-2-4-16(25)11-15/h5-6,12,14-16,25H,2-4,7-11H2,1H3,(H,20,21,22)/t15-,16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.43n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US10800783 (2020)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM370114
PNG
(8-[(1R,3R)-3-hydroxycyclohexyl]-2-{[1-(methylsulfo...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@H](O)C3)c2n1 |r|
Show InChI InChI=1S/C19H27N5O4S/c1-29(27,28)23-9-7-14(8-10-23)21-19-20-12-13-5-6-17(26)24(18(13)22-19)15-3-2-4-16(25)11-15/h5-6,12,14-16,25H,2-4,7-11H2,1H3,(H,20,21,22)/t15-,16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.43n/an/an/an/an/an/an/an/a



CNRS



Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair