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Compile Data Set for Download or QSAR

Found 343 hits with Last Name = 'andres' and Initial = 'c'   
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
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622419
PNG
(US20230312576, Compound 75)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:17|
PDB
MMDB

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B.MOAD
antibodypedia
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PC sid
UniChem
2.73n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622459
PNG
(US20230312576, Compound 136)
Show SMILES COc1ccc(cc1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:20|
PDB

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2.75n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622485
PNG
(US20230312576, Compound 198)
Show SMILES CNC(=O)c1cc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)ccn1 |c:19|
PDB
MMDB

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2.89n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622495
PNG
(US20230312576, Compound 222)
Show SMILES CNC(=O)c1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:21|
PDB
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2.96n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622485
PNG
(US20230312576, Compound 198)
Show SMILES CNC(=O)c1cc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)ccn1 |c:19|
PDB

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3.08n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622431
PNG
(US20230312576, Compound 93)
Show SMILES COc1ccc(cc1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c(C)c(C)c23)c1 |c:20|
PDB

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3.71n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622445
PNG
(US20230312576, Compound 122)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:17|
PDB
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4.02n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622495
PNG
(US20230312576, Compound 222)
Show SMILES CNC(=O)c1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:21|
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4.59n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622421
PNG
(US20230312576, Compound 77)
Show SMILES COc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:20|
PDB
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4.64n/an/an/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622493
PNG
(US20230312576, Compound 216)
Show SMILES CN(C)C(=O)Oc1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:23|
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4.88n/an/an/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622494
PNG
(US20230312576, Compound 219)
Show SMILES CC(=O)Nc1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:21|
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4.93n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622460
PNG
(US20230312576, Compound 137)
Show SMILES COc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:20|
PDB

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4.97n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622433
PNG
(US20230312576, Compound 110)
Show SMILES Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:12|
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5n/an/an/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622438
PNG
(US20230312576, Compound 115)
Show SMILES Brc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCCc4c23)c1 |c:12|
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5.37n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622494
PNG
(US20230312576, Compound 219)
Show SMILES CC(=O)Nc1cccc(Oc2cccc(NC(=O)N3CCC(=CC3)c3ncnc4[nH]cc(C)c34)c2)c1 |c:21|
PDB
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5.46n/an/an/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622434
PNG
(US20230312576, Compound 111)
Show SMILES Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:12|
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5.78n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622444
PNG
(US20230312576, Compound 121)
Show SMILES COc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:13|
PDB

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6.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622447
PNG
(US20230312576, Compound 124)
Show SMILES O=C(Nc1cccc(c1)-c1ccncc1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:20|
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6.49n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622427
PNG
(US20230312576, Compound 89)
Show SMILES Cc1[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Br)c3)c2c1C |$;;;;;;;;;;;;;;;;N;;;;;;;;;;$,t:8|
PDB

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6.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622420
PNG
(US20230312576, Compound 76)
Show SMILES COc1ccccc1-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C4CC4)c23)c1 |c:20|
PDB
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6.95n/an/an/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622435
PNG
(US20230312576, Compound 112)
Show SMILES Brc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:12|
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7n/an/an/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622445
PNG
(US20230312576, Compound 122)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:17|
PDB

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7.11n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622436
PNG
(US20230312576, Compound 113)
Show SMILES Fc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCCc4c23)c1 |c:12|
PDB

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7.13n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622490
PNG
(US20230312576, Compound 208)
Show SMILES Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccnc4)c3)c12 |t:9|
PDB
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7.57n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622442
PNG
(US20230312576, Compound 119)
Show SMILES O=C(Nc1ccccc1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:13|
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7.98n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622398
PNG
(US20230312576, Compound 30)
Show SMILES COc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:20|
PDB
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8.15n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622450
PNG
(US20230312576, Compound 127)
Show SMILES O=C(Nc1cccc(c1)C#N)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:15|
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8.19n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622410
PNG
(US20230312576, Compound 58 | US20230312576, Compou...)
Show SMILES CC1CC(=CC(C)N1C(=O)Nc1cccc(Cl)c1)c1ncnc2[nH]cc(C)c12 |c:3|
PDB
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antibodypedia
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UniChem
8.49n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622414
PNG
(US20230312576, Compound 66)
Show SMILES CC1CC(=CC(C)N1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |c:3|
PDB
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8.49n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622460
PNG
(US20230312576, Compound 137)
Show SMILES COc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:20|
PDB
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PC sid
UniChem
8.59n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622454
PNG
(US20230312576, Compound 131)
Show SMILES CN(C)C(=O)Nc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCc4c23)c1 |c:17|
PDB
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8.73n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622408
PNG
(US20230312576, Compound 49a-49b)
Show SMILES CC1C=C(CCN1C(=O)Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |c:2|
PDB
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8.89n/an/an/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622430
PNG
(US20230312576, Compound 92)
Show SMILES Cc1[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3ccccc3)c2c1C |t:8|
PDB

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8.99n/an/an/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622470
PNG
(US20230312576, Compound 175)
Show SMILES Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3cccc(OCCCNS(C)(=O)=O)c3)c12 |t:9|
PDB
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9.66n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622418
PNG
(US20230312576, Compound 74)
Show SMILES O=C(Nc1cccc(Cc2ccccc2)c1)N1CCC(=CC1)c1ncnc2[nH]cc(C3CC3)c12 |c:21|
PDB
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9.67n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622486
PNG
(US20230312576, Compound 200)
Show SMILES Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccc(F)c4)c3)c12 |t:9|
PDB
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9.83n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622437
PNG
(US20230312576, Compound 114)
Show SMILES Clc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]c4CCCCc4c23)c1 |c:12|
PDB

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9.98n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622424
PNG
(US20230312576, Compound 81)
Show SMILES O=C(Nc1cccc(c1)-n1cccc1)N1CCC(=CC1)c1ncnc2[nH]cc(C3CC3)c12 |c:19|
PDB
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9.98n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622404
PNG
(US20230312576, Compound 40)
Show SMILES CC(=O)NCCCOc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:26|
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10.6n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622408
PNG
(US20230312576, Compound 49a-49b)
Show SMILES CC1C=C(CCN1C(=O)Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |c:2|
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10.8n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622423
PNG
(US20230312576, Compound 79)
Show SMILES O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC(=CC1)c1ncnc2[nH]cc(C3CC3)c12 |c:21|
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Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622446
PNG
(US20230312576, Compound 123)
Show SMILES O=C(Nc1cccc(c1)-c1ccccc1)N1CCC(=CC1)c1ncnc2[nH]c3CCCc3c12 |c:20|
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11.5n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622393
PNG
(US20230312576, Compound 22)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:17|
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Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622470
PNG
(US20230312576, Compound 175)
Show SMILES Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3cccc(OCCCNS(C)(=O)=O)c3)c12 |t:9|
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12n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622399
PNG
(US20230312576, Compound 31)
Show SMILES COc1ccc(cc1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:20|
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12.4n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622492
PNG
(US20230312576, Compound 213)
Show SMILES Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(Oc4cccc(O)c4)c3)c12 |t:9|
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12.9n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622388
PNG
(US20230312576, Compound 17)
Show SMILES Cc1c[nH]c2ncnc(C3=CCN(CC3)C(=O)Nc3cccc(c3)-c3ccccc3)c12 |t:9|
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13.2n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM622424
PNG
(US20230312576, Compound 81)
Show SMILES O=C(Nc1cccc(c1)-n1cccc1)N1CCC(=CC1)c1ncnc2[nH]cc(C3CC3)c12 |c:19|
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13.3n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622404
PNG
(US20230312576, Compound 40)
Show SMILES CC(=O)NCCCOc1cccc(c1)-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:26|
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13.4n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM622397
PNG
(US20230312576, Compound 29)
Show SMILES COc1ccccc1-c1cccc(NC(=O)N2CCC(=CC2)c2ncnc3[nH]cc(C)c23)c1 |c:20|
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13.7n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
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