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BDBM5616 2-[4-(aminomethyl)piperidin-1-yl]-N-{3-[4-(morpholin-4-yl)phenyl]-4-oxo-2H,4H-indeno[1,2-c]pyrazol-5-yl}acetamide::3-(4-Morpholinophenyl)-5-(4-(aminomethyl)piperidinoacetamido)indeno[1,2-c]pyrazol-4-one::Indenopyrazole 8g

SMILES: NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(c4C(=O)c23)-c2ccc(cc2)N2CCOCC2)CC1

InChI Key: InChIKey=UDGMVUGWIIYQOU-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 5616   
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
CDK2/CycE


(Homo sapiens (Human))
BDBM5616
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-{3-[4-(morphol...)
Show SMILES NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(c4C(=O)c23)-c2ccc(cc2)N2CCOCC2)CC1
Show InChI InChI=1S/C28H32N6O3/c29-16-18-8-10-33(11-9-18)17-23(35)30-22-3-1-2-21-24(22)28(36)25-26(31-32-27(21)25)19-4-6-20(7-5-19)34-12-14-37-15-13-34/h1-7,18H,8-17,29H2,(H,30,35)(H,31,32)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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 (CDK4)


(Homo sapiens (Human))
BDBM5616
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-{3-[4-(morphol...)
Show SMILES NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(c4C(=O)c23)-c2ccc(cc2)N2CCOCC2)CC1
Show InChI InChI=1S/C28H32N6O3/c29-16-18-8-10-33(11-9-18)17-23(35)30-22-3-1-2-21-24(22)28(36)25-26(31-32-27(21)25)19-4-6-20(7-5-19)34-12-14-37-15-13-34/h1-7,18H,8-17,29H2,(H,30,35)(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



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