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Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'kreamer' 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
Arginase-1


(Homo sapiens (Human))
BDBM50613887
PNG
(CHEMBL5272577)
Show SMILES CCc1c(C2CCN(C[C@H]3CN(CC4(CCCC4)C(O)=O)C[C@@H]3c3cccc(F)c3)CC2)c(C)nn1CC1CC1 |r|
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/a 3.80E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613887
PNG
(CHEMBL5272577)
Show SMILES CCc1c(C2CCN(C[C@H]3CN(CC4(CCCC4)C(O)=O)C[C@@H]3c3cccc(F)c3)CC2)c(C)nn1CC1CC1 |r|
PDB
MMDB

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PC sid
UniChem
n/an/a 4.30E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613892
PNG
(CHEMBL5280882)
Show SMILES OC(=O)C1(CN2C[C@H](CN3CCC(CCS(=O)(=O)c4ccc(F)cc4)CC3)[C@H](C2)c2cccc(F)c2)CCCC1 |r|
PDB
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PDB
UniChem
PDB
n/an/a 4.40E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Arginase-1


(Homo sapiens (Human))
BDBM50613880
PNG
(CHEMBL5272837)
Show SMILES CCc1c(C)nn(CC)c1C1CCN(C[C@H]2CN(CC3(CCCC3)C(O)=O)C[C@@H]2c2cccc(F)c2)CC1 |r|
PDB
MMDB

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PC cid
PC sid
UniChem
n/an/a 5.70E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613888
PNG
(CHEMBL5279229)
Show SMILES CCc1nn(CC2CC2)c(C)c1C1CCN(C[C@H]2CN(CC3(CC4CC4C3)C(O)=O)C[C@@H]2c2cccc(F)c2)CC1 |r|
PDB
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UniChem
n/an/a 5.80E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613888
PNG
(CHEMBL5279229)
Show SMILES CCc1nn(CC2CC2)c(C)c1C1CCN(C[C@H]2CN(CC3(CC4CC4C3)C(O)=O)C[C@@H]2c2cccc(F)c2)CC1 |r|
PDB
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UniChem
n/an/a 6.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613880
PNG
(CHEMBL5272837)
Show SMILES CCc1c(C)nn(CC)c1C1CCN(C[C@H]2CN(CC3(CCCC3)C(O)=O)C[C@@H]2c2cccc(F)c2)CC1 |r|
PDB
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UniChem
n/an/a 6.90E+3n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613889
PNG
(CHEMBL5266555)
Show SMILES Cc1nn2CCCc2c1C1CCN(C[C@H]2CN(CC3(CC4CC4C3)C(O)=O)C[C@@H]2c2cc(F)cc(F)c2)CC1 |r|
PDB
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UniChem
n/an/a 7.40E+3n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613881
PNG
(CHEMBL5271123)
Show SMILES CCc1nn(CC)c(C2CCN(C[C@H]3CN(CC4(CCCC4)C(O)=O)C[C@@H]3c3cccc(F)c3)CC2)c1CC |r|
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PDB
n/an/a 8.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
3D
3D Structure (crystal)
Arginase-1


(Homo sapiens (Human))
BDBM50613878
PNG
(CHEMBL5278560)
Show SMILES OC(=O)C1(CN2C[C@H](CN3CCC(CCC(F)(F)c4ccc(F)cc4)CC3)[C@H](C2)c2cccc(F)c2)CCCC1 |r|
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UniChem
n/an/a 8.20E+3n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613893
PNG
(CHEMBL5289153)
Show SMILES C[C@H](N)C(=O)[C@H]1CC(CCCB(O)O)[C@](N)(C1)C(O)=O |r|
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UniChem
n/an/a 8.70E+3n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613881
PNG
(CHEMBL5271123)
Show SMILES CCc1nn(CC)c(C2CCN(C[C@H]3CN(CC4(CCCC4)C(O)=O)C[C@@H]3c3cccc(F)c3)CC2)c1CC |r|
PDB
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PDB
n/an/a 8.80E+3n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
3D
3D Structure (crystal)
Arginase-1


(Homo sapiens (Human))
BDBM50613892
PNG
(CHEMBL5280882)
Show SMILES OC(=O)C1(CN2C[C@H](CN3CCC(CCS(=O)(=O)c4ccc(F)cc4)CC3)[C@H](C2)c2cccc(F)c2)CCCC1 |r|
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PDB
n/an/a 9.70E+3n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
3D
3D Structure (crystal)
Arginase-1


(Homo sapiens (Human))
BDBM50613878
PNG
(CHEMBL5278560)
Show SMILES OC(=O)C1(CN2C[C@H](CN3CCC(CCC(F)(F)c4ccc(F)cc4)CC3)[C@H](C2)c2cccc(F)c2)CCCC1 |r|
PDB
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PC sid
UniChem
n/an/a 9.80E+3n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613889
PNG
(CHEMBL5266555)
Show SMILES Cc1nn2CCCc2c1C1CCN(C[C@H]2CN(CC3(CC4CC4C3)C(O)=O)C[C@@H]2c2cc(F)cc(F)c2)CC1 |r|
PDB
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PC cid
PC sid
UniChem
n/an/a 1.13E+4n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613882
PNG
(CHEMBL5269808)
Show SMILES CCc1nn(CC)c(C2CCN(C[C@H]3CN(CC4(CC5CC5C4)C(O)=O)C[C@@H]3c3cccc(F)c3)CC2)c1C |r|
PDB
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PC sid
UniChem
n/an/a 1.16E+4n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613882
PNG
(CHEMBL5269808)
Show SMILES CCc1nn(CC)c(C2CCN(C[C@H]3CN(CC4(CC5CC5C4)C(O)=O)C[C@@H]3c3cccc(F)c3)CC2)c1C |r|
PDB
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PC sid
UniChem
n/an/a 1.31E+4n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613890
PNG
(CHEMBL5284872)
Show SMILES Cc1nn2CCCc2c1C1CCN(C[C@H]2CN(CC3(CCCC3)C(O)=O)C[C@@H]2c2cc(F)cc(F)c2)CC1 |r|
PDB
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PC sid
UniChem
n/an/a 1.53E+4n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613879
PNG
(CHEMBL5265901)
Show SMILES OC(=O)C1(CN2C[C@H](CN3CCC(CCC(F)(F)c4cccnc4)CC3)[C@H](C2)c2cccc(F)c2)CCCC1 |r|
PDB
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UniChem
n/an/a 1.76E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613890
PNG
(CHEMBL5284872)
Show SMILES Cc1nn2CCCc2c1C1CCN(C[C@H]2CN(CC3(CCCC3)C(O)=O)C[C@@H]2c2cc(F)cc(F)c2)CC1 |r|
PDB
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n/an/a 1.82E+4n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613883
PNG
(CHEMBL5270828)
Show SMILES CCn1nc(C2CCC2)c(C)c1C1CCN(C[C@H]2CN(CC3(CCCC3)C(O)=C)C[C@@H]2c2cccc(F)c2)CC1 |r|
PDB
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UniChem
n/an/a 1.94E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613883
PNG
(CHEMBL5270828)
Show SMILES CCn1nc(C2CCC2)c(C)c1C1CCN(C[C@H]2CN(CC3(CCCC3)C(O)=C)C[C@@H]2c2cccc(F)c2)CC1 |r|
PDB
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UniProtKB/SwissProt

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PC sid
UniChem
n/an/a 2.08E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613879
PNG
(CHEMBL5265901)
Show SMILES OC(=O)C1(CN2C[C@H](CN3CCC(CCC(F)(F)c4cccnc4)CC3)[C@H](C2)c2cccc(F)c2)CCCC1 |r|
PDB
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PC cid
PC sid
UniChem
n/an/a 2.15E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613884
PNG
(CHEMBL5269767)
Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(CC3(CCCC3)C(O)=C)C[C@@H]2c2cnn(C)c2)CC1 |r|
PDB
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PC cid
PC sid
UniChem
n/an/a 2.41E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613885
PNG
(CHEMBL5284426)
Show SMILES CCc1cc(C2CCN(C[C@H]3CN(CC4(CCCC4)C(O)=C)C[C@@H]3c3cccc(F)c3)CC2)n(CC)n1 |r|
PDB
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UniChem
n/an/a 2.46E+4n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613885
PNG
(CHEMBL5284426)
Show SMILES CCc1cc(C2CCN(C[C@H]3CN(CC4(CCCC4)C(O)=C)C[C@@H]3c3cccc(F)c3)CC2)n(CC)n1 |r|
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n/an/a 2.63E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613891
PNG
(CHEMBL5281093)
Show SMILES CCc1nn(CC)c(C)c1C1CCN(C[C@H]2CN(CC3(CCC3)C(O)=O)C[C@@H]2c2cccc(F)c2)CC1 |r|
PDB
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PC sid
UniChem
n/an/a 2.82E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613884
PNG
(CHEMBL5269767)
Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(CC3(CCCC3)C(O)=C)C[C@@H]2c2cnn(C)c2)CC1 |r|
PDB
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n/an/a 3.26E+4n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613886
PNG
(CHEMBL5278843)
Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(CC3(CCCC3)C(O)=O)C[C@@H]2c2ccn(C)n2)CC1 |r|
PDB
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n/an/a 4.55E+4n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613886
PNG
(CHEMBL5278843)
Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(CC3(CCCC3)C(O)=O)C[C@@H]2c2ccn(C)n2)CC1 |r|
PDB
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UniChem
n/an/a 5.03E+4n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50613891
PNG
(CHEMBL5281093)
Show SMILES CCc1nn(CC)c(C)c1C1CCN(C[C@H]2CN(CC3(CCC3)C(O)=O)C[C@@H]2c2cccc(F)c2)CC1 |r|
PDB
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PC sid
UniChem
n/an/a 9.22E+4n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Arginase-1


(Homo sapiens (Human))
BDBM50008099
PNG
(CHEMBL1234777)
Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r|
Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1
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Similars

PDB
n/an/an/a 50n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Arginase-1


(Homo sapiens (Human))
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][C@@H](CCCCB(O)O)C([O-])=O |r|
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
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n/an/an/a 5n/an/an/an/an/a


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Citation and Details
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Ligand-Target Pair