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Compile Data Set for Download or QSAR

Found 1067 hits with Last Name = 'fan' and Initial = 'b'   
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50300196
PNG
(10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....)
Show SMILES Oc1ccc(cc1)C1c2c[nH]c3nccc(-c4ccccc4NC1=O)c23
Show InChI InChI=1S/C21H15N3O2/c25-13-7-5-12(6-8-13)18-16-11-23-20-19(16)15(9-10-22-20)14-3-1-2-4-17(14)24-21(18)26/h1-11,18,25H,(H,22,23)(H,24,26)
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0.00100n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2


J Med Chem 52: 7938-41 (2009)

Checked by Author
Article DOI: 10.1021/jm901383u
BindingDB Entry DOI: 10.7270/Q2GF0TK0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50300196
PNG
(10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....)
Show SMILES Oc1ccc(cc1)C1c2c[nH]c3nccc(-c4ccccc4NC1=O)c23
Show InChI InChI=1S/C21H15N3O2/c25-13-7-5-12(6-8-13)18-16-11-23-20-19(16)15(9-10-22-20)14-3-1-2-4-17(14)24-21(18)26/h1-11,18,25H,(H,22,23)(H,24,26)
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0.00500n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK3


J Med Chem 52: 7938-41 (2009)

Checked by Author
Article DOI: 10.1021/jm901383u
BindingDB Entry DOI: 10.7270/Q2GF0TK0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50300196
PNG
(10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....)
Show SMILES Oc1ccc(cc1)C1c2c[nH]c3nccc(-c4ccccc4NC1=O)c23
Show InChI InChI=1S/C21H15N3O2/c25-13-7-5-12(6-8-13)18-16-11-23-20-19(16)15(9-10-22-20)14-3-1-2-4-17(14)24-21(18)26/h1-11,18,25H,(H,22,23)(H,24,26)
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0.00500n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK3


J Med Chem 52: 7938-41 (2009)

Checked by Author
Article DOI: 10.1021/jm901383u
BindingDB Entry DOI: 10.7270/Q2GF0TK0
More data for this
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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More data for this
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
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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))
BDBM50611459
PNG
(CHEMBL5277565)
Show SMILES Cc1nn(C)cc1-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1Cl
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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))
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))
BDBM50611455
PNG
(CHEMBL5286090)
Show SMILES Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1Cl
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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))
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))
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
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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
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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50378535
PNG
(CHEMBL1204012)
Show SMILES CCN(CC)C(=O)C1CCCN(C1)c1cc(ncn1)-c1c(N)nn2cccnc12
Show InChI InChI=1S/C20H26N8O/c1-3-26(4-2)20(29)14-7-5-9-27(12-14)16-11-15(23-13-24-16)17-18(21)25-28-10-6-8-22-19(17)28/h6,8,10-11,13-14H,3-5,7,9,12H2,1-2H3,(H2,21,25)
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7n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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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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More data for this
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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Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50300196
PNG
(10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....)
Show SMILES Oc1ccc(cc1)C1c2c[nH]c3nccc(-c4ccccc4NC1=O)c23
Show InChI InChI=1S/C21H15N3O2/c25-13-7-5-12(6-8-13)18-16-11-23-20-19(16)15(9-10-22-20)14-3-1-2-4-17(14)24-21(18)26/h1-11,18,25H,(H,22,23)(H,24,26)
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17n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK


J Med Chem 52: 7938-41 (2009)

Checked by Author
Article DOI: 10.1021/jm901383u
BindingDB Entry DOI: 10.7270/Q2GF0TK0
More data for this
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))
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))
BDBM50611452
PNG
(CHEMBL5286271)
Show SMILES Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1F
MMDB

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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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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
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23n/an/an/an/an/an/an/an/a


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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
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26n/an/an/an/an/an/an/an/a


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More data for this
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
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26n/an/an/an/an/an/an/an/a


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More data for this
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
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33n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
CB1 cannabinoid receptor-interacting protein 1


(theromyzon Tessulatum)
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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33.3n/an/an/an/an/an/an/an/a



State University of New York at Old Westbury

Curated by PDSP Ki Database




Brain Res 753: 219-24 (1997)


Article DOI: 10.1016/s0006-8993(96)01484-9
BindingDB Entry DOI: 10.7270/Q2QR4VN3
More data for this
Ligand-Target Pair
CB1 cannabinoid receptor-interacting protein 1


(theromyzon Tessulatum)
BDBM21244
PNG
(2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1
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33.8n/an/an/an/an/an/an/an/a



State University of New York at Old Westbury

Curated by PDSP Ki Database




Brain Res 753: 219-24 (1997)


Article DOI: 10.1016/s0006-8993(96)01484-9
BindingDB Entry DOI: 10.7270/Q2QR4VN3
More data for this
Ligand-Target Pair
CB1 cannabinoid receptor-interacting protein 1


(theromyzon Tessulatum)
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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34.5n/an/an/an/an/an/an/an/a



State University of New York at Old Westbury

Curated by PDSP Ki Database




Brain Res 753: 219-24 (1997)


Article DOI: 10.1016/s0006-8993(96)01484-9
BindingDB Entry DOI: 10.7270/Q2QR4VN3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Hirudo medicinalis)
BDBM21244
PNG
(2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1
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34.5n/an/an/an/an/an/an/an/a



State University of New York at Old Westbury

Curated by PDSP Ki Database




Brain Res 753: 219-24 (1997)


Article DOI: 10.1016/s0006-8993(96)01484-9
BindingDB Entry DOI: 10.7270/Q2QR4VN3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Hirudo medicinalis)
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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35.8n/an/an/an/an/an/an/an/a



State University of New York at Old Westbury

Curated by PDSP Ki Database




Brain Res 753: 219-24 (1997)


Article DOI: 10.1016/s0006-8993(96)01484-9
BindingDB Entry DOI: 10.7270/Q2QR4VN3
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
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36n/an/an/an/an/an/an/an/a


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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
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36n/an/an/an/an/an/an/an/a


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


(Hirudo medicinalis)
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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37.5n/an/an/an/an/an/an/an/a



State University of New York at Old Westbury

Curated by PDSP Ki Database




Brain Res 753: 219-24 (1997)


Article DOI: 10.1016/s0006-8993(96)01484-9
BindingDB Entry DOI: 10.7270/Q2QR4VN3
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
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42n/an/an/an/an/an/an/an/a


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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)
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47n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
CB1 cannabinoid receptor-interacting protein 1


(theromyzon Tessulatum)
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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58.6n/an/an/an/an/an/an/an/a



State University of New York at Old Westbury

Curated by PDSP Ki Database




Brain Res 753: 219-24 (1997)


Article DOI: 10.1016/s0006-8993(96)01484-9
BindingDB Entry DOI: 10.7270/Q2QR4VN3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Hirudo medicinalis)
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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62.4n/an/an/an/an/an/an/an/a



State University of New York at Old Westbury

Curated by PDSP Ki Database




Brain Res 753: 219-24 (1997)


Article DOI: 10.1016/s0006-8993(96)01484-9
BindingDB Entry DOI: 10.7270/Q2QR4VN3
More data for this
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
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70n/an/an/an/an/an/an/an/a


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


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


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Ligand-Target Pair
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