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BDBM370140 US10233188, Example 29::US10800783, Example 29

SMILES: CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1

InChI Key: InChIKey=YEMOJJTZJLWRNY-UHFFFAOYSA-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 9 hits for monomerid = 370140   
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 6/G1/S-specific cyclin-D1


(Homo sapiens (Human)-Mus musculus (mouse))
BDBM370140
PNG
(US10233188, Example 29 | US10800783, Example 29)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C18H24ClN5O3S/c1-28(26,27)23-8-6-13(7-9-23)21-18-20-11-12-10-15(19)17(25)24(16(12)22-18)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.310n/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))
BDBM370140
PNG
(US10233188, Example 29 | US10800783, Example 29)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C18H24ClN5O3S/c1-28(26,27)23-8-6-13(7-9-23)21-18-20-11-12-10-15(19)17(25)24(16(12)22-18)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,20,21,22)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.310n/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-D1


(Homo sapiens (Human)-Mus musculus (mouse))
BDBM370140
PNG
(US10233188, Example 29 | US10800783, Example 29)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C18H24ClN5O3S/c1-28(26,27)23-8-6-13(7-9-23)21-18-20-11-12-10-15(19)17(25)24(16(12)22-18)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.310n/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))
BDBM370140
PNG
(US10233188, Example 29 | US10800783, Example 29)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C18H24ClN5O3S/c1-28(26,27)23-8-6-13(7-9-23)21-18-20-11-12-10-15(19)17(25)24(16(12)22-18)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.660n/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))
BDBM370140
PNG
(US10233188, Example 29 | US10800783, Example 29)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C18H24ClN5O3S/c1-28(26,27)23-8-6-13(7-9-23)21-18-20-11-12-10-15(19)17(25)24(16(12)22-18)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.660n/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
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM370140
PNG
(US10233188, Example 29 | US10800783, Example 29)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C18H24ClN5O3S/c1-28(26,27)23-8-6-13(7-9-23)21-18-20-11-12-10-15(19)17(25)24(16(12)22-18)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.660n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370140
PNG
(US10233188, Example 29 | US10800783, Example 29)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C18H24ClN5O3S/c1-28(26,27)23-8-6-13(7-9-23)21-18-20-11-12-10-15(19)17(25)24(16(12)22-18)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,20,21,22)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.40n/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 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370140
PNG
(US10233188, Example 29 | US10800783, Example 29)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C18H24ClN5O3S/c1-28(26,27)23-8-6-13(7-9-23)21-18-20-11-12-10-15(19)17(25)24(16(12)22-18)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,20,21,22)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370140
PNG
(US10233188, Example 29 | US10800783, Example 29)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C18H24ClN5O3S/c1-28(26,27)23-8-6-13(7-9-23)21-18-20-11-12-10-15(19)17(25)24(16(12)22-18)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,20,21,22)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.40n/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