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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50018692   
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
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
MMDB

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1n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM370121
PNG
(6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcy...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O |r|
Show InChI InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1
MMDB

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1n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611455
PNG
(CHEMBL5286090)
Show SMILES Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1Cl
MMDB

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1n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611459
PNG
(CHEMBL5277565)
Show SMILES Cc1nn(C)cc1-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1Cl
MMDB

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2n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50431360
PNG
(CHEMBL2347597)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
Show InChI InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
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More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50431360
PNG
(CHEMBL2347597)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
Show InChI InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
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More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50431360
PNG
(CHEMBL2347597)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
Show InChI InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
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More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50431360
PNG
(CHEMBL2347597)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
Show InChI InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
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More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50431360
PNG
(CHEMBL2347597)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
Show InChI InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
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More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50431360
PNG
(CHEMBL2347597)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
Show InChI InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
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More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611451
PNG
(CHEMBL5286978)
Show SMILES Cn1cc(cn1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
MMDB

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5n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50593923
PNG
(CHEMBL5195030)
Show SMILES CC[C@@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611454
PNG
(CHEMBL5277074)
Show SMILES Cn1cc(cn1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1Cl
MMDB

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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611455
PNG
(CHEMBL5286090)
Show SMILES Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1Cl
MMDB

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5n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611456
PNG
(CHEMBL5281179)
Show SMILES Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1Cl
MMDB

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6n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611452
PNG
(CHEMBL5286271)
Show SMILES Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1F
MMDB

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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611456
PNG
(CHEMBL5281179)
Show SMILES Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1Cl
MMDB

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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611457
PNG
(CHEMBL5285230)
Show SMILES Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1Cl
MMDB

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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611457
PNG
(CHEMBL5285230)
Show SMILES Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1Cl
MMDB

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9n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611459
PNG
(CHEMBL5277565)
Show SMILES Cc1nn(C)cc1-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1Cl
MMDB

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12n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611459
PNG
(CHEMBL5277565)
Show SMILES Cc1nn(C)cc1-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1Cl
MMDB

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16n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611455
PNG
(CHEMBL5286090)
Show SMILES Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1Cl
MMDB

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17n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611458
PNG
(CHEMBL5286293)
Show SMILES Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1F
MMDB

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18n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611452
PNG
(CHEMBL5286271)
Show SMILES Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1F
MMDB

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19n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611452
PNG
(CHEMBL5286271)
Show SMILES Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1F
MMDB

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21n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611451
PNG
(CHEMBL5286978)
Show SMILES Cn1cc(cn1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
MMDB

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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611451
PNG
(CHEMBL5286978)
Show SMILES Cn1cc(cn1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
MMDB

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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611457
PNG
(CHEMBL5285230)
Show SMILES Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1Cl
MMDB

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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611455
PNG
(CHEMBL5286090)
Show SMILES Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1Cl
MMDB

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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611456
PNG
(CHEMBL5281179)
Show SMILES Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1Cl
MMDB

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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611458
PNG
(CHEMBL5286293)
Show SMILES Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1F
MMDB

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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611453
PNG
(CHEMBL5270069)
Show SMILES Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1F
MMDB

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42n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50113281
PNG
(AT-7519)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1
Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611460
PNG
(CHEMBL5277367)
Show SMILES Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)ncc1F
MMDB

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70n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611451
PNG
(CHEMBL5286978)
Show SMILES Cn1cc(cn1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
MMDB

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77n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611461
PNG
(CHEMBL5273574)
Show SMILES Cn1cc(cn1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1F
MMDB

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87n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611454
PNG
(CHEMBL5277074)
Show SMILES Cn1cc(cn1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1Cl
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92n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611458
PNG
(CHEMBL5286293)
Show SMILES Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1F
MMDB

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99n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611453
PNG
(CHEMBL5270069)
Show SMILES Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1F
MMDB

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146n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611461
PNG
(CHEMBL5273574)
Show SMILES Cn1cc(cn1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1F
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147n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611462
PNG
(CHEMBL5287252)
Show SMILES Cn1nccc1-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
MMDB

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UniChem
171n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611454
PNG
(CHEMBL5277074)
Show SMILES Cn1cc(cn1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1Cl
MMDB

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176n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50113281
PNG
(AT-7519)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1
Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
MMDB

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190n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611456
PNG
(CHEMBL5281179)
Show SMILES Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1Cl
MMDB

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229n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611452
PNG
(CHEMBL5286271)
Show SMILES Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1F
MMDB

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UniChem
271n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50611454
PNG
(CHEMBL5277074)
Show SMILES Cn1cc(cn1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1Cl
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
301n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50593923
PNG
(CHEMBL5195030)
Show SMILES CC[C@@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
MMDB

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578n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair