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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 4/G1/S-specific cyclin-D1' and Ligand = 'BDBM5603'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM5603
PNG
(Indenopyrazole 5g | Indenopyrazole deriv. 3 | N-[3...)
Show SMILES COc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C19H15N3O3/c1-10(23)20-14-5-3-4-13-15(14)19(24)16-17(21-22-18(13)16)11-6-8-12(25-2)9-7-11/h3-9H,1-2H3,(H,20,23)(H,21,22)
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MMDB

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Article
PubMed
n/an/a 450n/an/an/an/a7.622



DuPont Merck Pharmaceutical Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


J Med Chem 44: 1334-6 (2001)


Article DOI: 10.1021/jm0100032
BindingDB Entry DOI: 10.7270/Q2DN4387
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM5603
PNG
(Indenopyrazole 5g | Indenopyrazole deriv. 3 | N-[3...)
Show SMILES COc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C19H15N3O3/c1-10(23)20-14-5-3-4-13-15(14)19(24)16-17(21-22-18(13)16)11-6-8-12(25-2)9-7-11/h3-9H,1-2H3,(H,20,23)(H,21,22)
PDB
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PC sid
UniChem

Patents


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Article
PubMed
n/an/a 450n/an/an/an/a7.622



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM5603
PNG
(Indenopyrazole 5g | Indenopyrazole deriv. 3 | N-[3...)
Show SMILES COc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C19H15N3O3/c1-10(23)20-14-5-3-4-13-15(14)19(24)16-17(21-22-18(13)16)11-6-8-12(25-2)9-7-11/h3-9H,1-2H3,(H,20,23)(H,21,22)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 460n/an/an/an/a7.623



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


J Med Chem 45: 5224-32 (2002)


Article DOI: 10.1021/jm020171+
BindingDB Entry DOI: 10.7270/Q23J3B5K
More data for this
Ligand-Target Pair