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SMILES: CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1

InChI Key: InChIKey=KKLHCMCSZHFUHY-HNNXBMFYSA-N

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 4 hits for monomerid = 334006   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334006
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C20H23N7O2/c1-3-27-17(14-8-21-12(2)22-9-14)25-16-18(27)23-11-24-19(16)29-15-6-7-26(10-15)20(28)13-4-5-13/h8-9,11,13,15H,3-7,10H2,1-2H3/t15-/m0/s1
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.80n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...


US Patent US9730940 (2017)


BindingDB Entry DOI: 10.7270/Q2BP04WX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334006
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C20H23N7O2/c1-3-27-17(14-8-21-12(2)22-9-14)25-16-18(27)23-11-24-19(16)29-15-6-7-26(10-15)20(28)13-4-5-13/h8-9,11,13,15H,3-7,10H2,1-2H3/t15-/m0/s1
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PC cid
PC sid
UniChem
n/an/a 270n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334006
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C20H23N7O2/c1-3-27-17(14-8-21-12(2)22-9-14)25-16-18(27)23-11-24-19(16)29-15-6-7-26(10-15)20(28)13-4-5-13/h8-9,11,13,15H,3-7,10H2,1-2H3/t15-/m0/s1
PDB
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PC cid
PC sid
UniChem
n/an/a 80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334006
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C20H23N7O2/c1-3-27-17(14-8-21-12(2)22-9-14)25-16-18(27)23-11-24-19(16)29-15-6-7-26(10-15)20(28)13-4-5-13/h8-9,11,13,15H,3-7,10H2,1-2H3/t15-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 5.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair