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SMILES: C[C@H](O)C(=O)N1CC[C@@H](Nc2ncc(Cl)c(n2)-c2cc(F)c3ncn(c3c2)C(C)(C)C)[C@H](O)C1

InChI Key: InChIKey=QSWXQGNVXUPASL-BJOOFOGMSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 462203   
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))
BDBM462203
PNG
(US10766884, Example F21)
Show SMILES C[C@H](O)C(=O)N1CC[C@@H](Nc2ncc(Cl)c(n2)-c2cc(F)c3ncn(c3c2)C(C)(C)C)[C@H](O)C1 |r|
Show InChI InChI=1S/C23H28ClFN6O3/c1-12(32)21(34)30-6-5-16(18(33)10-30)28-22-26-9-14(24)19(29-22)13-7-15(25)20-17(8-13)31(11-27-20)23(2,3)4/h7-9,11-12,16,18,32-33H,5-6,10H2,1-4H3,(H,26,28,29)/t12-,16+,18+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.400n/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 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM462203
PNG
(US10766884, Example F21)
Show SMILES C[C@H](O)C(=O)N1CC[C@@H](Nc2ncc(Cl)c(n2)-c2cc(F)c3ncn(c3c2)C(C)(C)C)[C@H](O)C1 |r|
Show InChI InChI=1S/C23H28ClFN6O3/c1-12(32)21(34)30-6-5-16(18(33)10-30)28-22-26-9-14(24)19(29-22)13-7-15(25)20-17(8-13)31(11-27-20)23(2,3)4/h7-9,11-12,16,18,32-33H,5-6,10H2,1-4H3,(H,26,28,29)/t12-,16+,18+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
7.70n/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