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Compile Data Set for Download or QSAR

Found 636 hits with Last Name = 'gulati' and Initial = 'a'   
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
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584324
PNG
(CHEMBL5088471)
Show SMILES Clc1c(Nc2ncc3ccc(cc3n2)C2(CC22CC2)C#N)cnn1C1CCOCC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<0.0800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620922
PNG
((3R,4R)-4-(4-(6-chloro-2-((1- cyclopropyl-5-(diflu...)
Show SMILES C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3C(F)F)ncc2cc1Cl |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.0800n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620916
PNG
((3S,4S) or (3R,4R) 4-(4-(6- chloro-2-((5-(difluoro...)
Show SMILES CC(C)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)c1C(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.0800n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620868
PNG
((3S,4S) or (3R,4R) 4-(4-(6- chloro-2-((5-chloro-1-...)
Show SMILES CC1(COCC1O)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.0800n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620971
PNG
((3S,4S) or (3R, 4R)-4-((R) or (S)- 4-(6-chloro-2-(...)
Show SMILES CC1CN(CCN1c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl)C1COCC1O
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.0880n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620720
PNG
(US20230303540, Example Ex-3.1)
Show SMILES COCC12CC(C1)(C2)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2C[C@@H]3CC[C@H](C2)[C@]3(C)O)c1Cl |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.0930n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620851
PNG
(US20230303540, Example Ex-5.1)
Show SMILES Cc1cc2cnc(Nc3cnn(C4CC4(F)F)c3Cl)nc2cc1N1CCN(CC1)C1COCC1O
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.105n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620733
PNG
(1-{6-chloro-2-[(1-cyclopropyl-5- methyl-1H-pyrazol...)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(O)CC2)cnn1C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.106n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620974
PNG
(US20230303540, Example Ex-13.1 | US20230303540, Ex...)
Show SMILES OC1COCC1N1CCN(CC1)c1cc2nc(Nc3cnn(c3Cl)C34CC(C3)C4)ncc2cc1Cl
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.116n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620858
PNG
((3S,4S) or (3R,4R) 4-(4-{2-[(5- chloro-1-cycloprop...)
Show SMILES Cc1cc2cnc(Nc3cnn(C4CC4)c3Cl)nc2cc1N1CCN(CC1)C1COCC1O
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.170n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620778
PNG
((3R,4R) or (3S,4S) 4-(4-(6-chloro- 2-((5-chloro-1-...)
Show SMILES CC1(COCC1O)N1CCN(CC1)c1cc2nc(Nc3cnn(C(F)F)c3Cl)ncc2cc1Cl
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.178n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620854
PNG
((3S,4S) or (3R,4R) 4-(4-(2-((1- cyclopropyl-5-meth...)
Show SMILES Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.180n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620857
PNG
((3S,4S) or (3R,4R) 4-(4-{2-[(1- cyclopropyl-5-meth...)
Show SMILES Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.197n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620875
PNG
(1-(6-chloro-2-{[1-(2,2-(R) or (S) difluorocyclopro...)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)cnn1C1CC1(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620779
PNG
((R or S) 6-chloro-N-(5-chloro-1-((S) or (R) 2,2-d...)
Show SMILES CC1(CCOC1)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620868
PNG
((3S,4S) or (3R,4R) 4-(4-(6- chloro-2-((5-chloro-1-...)
Show SMILES CC1(COCC1O)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.212n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620734
PNG
(US20230303540, Example Ex-3.15 | US20230303540, Ex...)
Show SMILES COCC12CC(C1)(C2)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(COC(CO)C3)CC2)cn1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.218n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620731
PNG
(1-(6-chloro-2-{[1-(2-hydroxy-2- methylpropyl)-1H-p...)
Show SMILES CC(C)(O)Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)cn1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.221n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620734
PNG
(US20230303540, Example Ex-3.15 | US20230303540, Ex...)
Show SMILES COCC12CC(C1)(C2)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(COC(CO)C3)CC2)cn1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.227n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620977
PNG
((3S,4S) or (3R, 4R)-4-(4-(2-((1- (bicyclo[1.1.1]pe...)
Show SMILES Cc1cc2cnc(Nc3cnn(c3Cl)C34CC(C3)C4)nc2cc1N1CCN(CC1)C1(C)COCC1O
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.267n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620893
PNG
((3S,4S) or (3R,4R) 4-[4-(6- chloro-2-{[5-chloro-1-...)
Show SMILES OC1COCC1N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.270n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620719
PNG
((3S,4S or 3R,4R)-N-(1- (bicyclo[1.1.1]pentan-1-yl)...)
Show SMILES Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2(C)CCOC2)cnn1C12CC(C1)C2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.279n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609728
PNG
(CHEMBL5267350)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50590228
PNG
(CHEMBL5172416)
Show SMILES CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC3(CC3)C(F)(F)F)c2)c1)C(F)(F)F |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00097g
BindingDB Entry DOI: 10.7270/Q2WH2TZ3
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609742
PNG
(CHEMBL5286106)
Show SMILES CC(C)(O)[C@]12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:25.29,wD:4.3,(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.67,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.85,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609742
PNG
(CHEMBL5286106)
Show SMILES CC(C)(O)[C@]12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:25.29,wD:4.3,(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.67,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.85,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620853
PNG
((3S,4S) or (3R,4R) 4-(4-(2-((1- (2,2-(R) or (S) di...)
Show SMILES Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C1CC1(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.310n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620884
PNG
((3S,4S) or (3R,4R) 4-(4-{6- chloro-2-[(1-cycloprop...)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C1CC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.322n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620887
PNG
((3S,4S) or (3R,4R) 2-[4-({6- chloro-7-[4-(4-hydrox...)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C(C)(C)C#N
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.323n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620904
PNG
((3S,4S) or (3R,4R) 4-[4-(6- chloro-2-{[1-(2,2-(R) ...)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C1CC1(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.352n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620894
PNG
((3S,4S) or (3R,4R) 4-(4-{6- chloro-2-[(5-chloro-1-...)
Show SMILES Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)c1Cl
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.381n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620751
PNG
((8-syn)-3-(6-chloro-2-{[1-(2- hydroxy-2-methylprop...)
Show SMILES CC(C)(O)Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2C[C@@H]3CC[C@H](C2)[C@]3(C)O)cn1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.393n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50609741
PNG
(CHEMBL5284341)
Show SMILES CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:25.29,(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;4.54,-2.51,;4.14,-4,;5.68,-3.91,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)|
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Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50590227
PNG
(CHEMBL5181104)
Show SMILES CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)c1)C(F)(F)F |r|
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Citation and Details

Article DOI: 10.1039/d1md00097g
BindingDB Entry DOI: 10.7270/Q2WH2TZ3
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620856
PNG
((3S,4S) or (3R,4R) 4-(4-(2-((5- chloro-1-cycloprop...)
Show SMILES Cc1cc2cnc(Nc3cnn(C4CC4)c3Cl)nc2cc1N1CCN(CC1)C1(C)COCC1O
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Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620729
PNG
(1-(6-chloro-2-{[1-(2-hydroxy-2- methylpropyl)-1H-p...)
Show SMILES CC(C)(O)Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(O)CC2)cn1
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More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620891
PNG
((3S,4S) or (3R,4R) 4-[4-(6- chloro-2-{[1-(2,2-difl...)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1CC(F)F
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More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620855
PNG
((3S,4S) or (3R,4R) 4-(4-(2-((5- chloro-1-(2,2-(R) ...)
Show SMILES Cc1cc2cnc(Nc3cnn(C4CC4(F)F)c3Cl)nc2cc1N1CCN(CC1)C1(C)COCC1O
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Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620756
PNG
((3R,4R) or (3S,4S) 4-(4-{6-chloro-2- [(1,5-dimethy...)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C
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Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620777
PNG
((3R,4R) or (3S,4S) 4-(4-(6-chloro-2- ((5-chloro-1-...)
Show SMILES OC1COCC1N1CCN(CC1)c1cc2nc(Nc3cnn(c3Cl)C34CC(F)(C3)C4)ncc2cc1Cl
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More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620852
PNG
((3S,4S) or (3R,4R) 4-(4-(2-((1- (2,2-(R) or (S) di...)
Show SMILES Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C1CC1(F)F
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Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620746
PNG
((8-syn)-3-{6-chloro-2-[(1- cyclopropyl-5-methyl-1H...)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2C[C@@H]3CC[C@H](C2)[C@]3(C)O)cnn1C1CC1 |r|
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Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620730
PNG
(1-(6-chloro-2-{[5-chloro-1-(2- hydroxy-2-methylpro...)
Show SMILES CC(C)(O)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(O)CC2)c1Cl
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More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM257207
PNG
(US9493440, 51)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
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n/an/a 0.5n/an/an/an/an/an/a


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Ligand-Target Pair
3D
3D Structure (crystal)
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620919
PNG
((3S,4S) or (3R,4R) 4-(4-(7- chloro-3-((1-(2,2- dif...)
Show SMILES Cc1c(Nc2cc3cc(N4CCN(CC4)C4(C)COCC4O)c(Cl)cc3cn2)cnn1C1CC1(F)F
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n/an/a 0.522n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620964
PNG
(US20230303540, Example Ex-12.1 | US20230303540, Ex...)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COC(C)(C)C2)cnn1C1CC1
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n/an/a 0.560n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620716
PNG
(US20230303540, Example Ex-2.1 | US20230303540, Exa...)
Show SMILES Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C
PDB

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n/an/a 0.576n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620753
PNG
(6-chloro-N-{1-[3-(methoxymethyl) bicyclo[1.1.1]pen...)
Show SMILES COCC12CC(C1)(C2)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(CCCO3)CC2)cn1
PDB

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More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S]


(Homo sapiens (Human))
BDBM523087
PNG
(US11161854, Example 4.12-2)
Show SMILES CC(C)(O)[C@@H]1CN(C[C@@H]1F)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r|
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US Patent
n/an/a 0.600n/an/an/an/an/an/a


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Assay Description
The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4FC3
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584331
PNG
(CHEMBL5079796)
Show SMILES FC1COCC1N1CCC(C(F)C1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
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n/an/a<0.600n/an/an/an/an/an/a


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Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
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