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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'kambe' 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
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/a 389n/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))
BDBM50339081
PNG
(6-[Ethyl-(3-isobutoxy-4-isopropylphenyl)amino]nico...)
Show SMILES CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C21H28N2O3/c1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-18(15(4)5)19(11-17)26-13-14(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)
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n/an/a 394n/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))
BDBM50391814
PNG
(CHEMBL2146901)
Show SMILES Cc1cc2c(cc1-n1nnc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H25N3O2/c1-13-10-15-16(22(4,5)9-8-21(15,2)3)12-19(13)25-18-7-6-14(20(26)27)11-17(18)23-24-25/h6-7,10-12H,8-9H2,1-5H3,(H,26,27)
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n/an/a 431n/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))
BDBM50210259
PNG
((4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hex...)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O
Show InChI InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
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n/an/a 4.82E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50530499
PNG
(CHEMBL4449685)
Show SMILES Cc1cc2c(cc1-c1cc3cc(C(O)=O)c(=O)oc3cc1O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H26O5/c1-13-8-18-19(25(4,5)7-6-24(18,2)3)11-15(13)16-9-14-10-17(22(27)28)23(29)30-21(14)12-20(16)26/h8-12,26H,6-7H2,1-5H3,(H,27,28)
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n/an/an/a 1.11E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50391814
PNG
(CHEMBL2146901)
Show SMILES Cc1cc2c(cc1-n1nnc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H25N3O2/c1-13-10-15-16(22(4,5)9-8-21(15,2)3)12-19(13)25-18-7-6-14(20(26)27)11-17(18)23-24-25/h6-7,10-12H,8-9H2,1-5H3,(H,26,27)
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n/an/an/a 330n/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))
BDBM50030474
PNG
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
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n/an/an/a 650n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50339081
PNG
(6-[Ethyl-(3-isobutoxy-4-isopropylphenyl)amino]nico...)
Show SMILES CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C21H28N2O3/c1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-18(15(4)5)19(11-17)26-13-14(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)
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n/an/an/a 340n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50391814
PNG
(CHEMBL2146901)
Show SMILES Cc1cc2c(cc1-n1nnc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H25N3O2/c1-13-10-15-16(22(4,5)9-8-21(15,2)3)12-19(13)25-18-7-6-14(20(26)27)11-17(18)23-24-25/h6-7,10-12H,8-9H2,1-5H3,(H,26,27)
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n/an/an/a 1.59E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50530499
PNG
(CHEMBL4449685)
Show SMILES Cc1cc2c(cc1-c1cc3cc(C(O)=O)c(=O)oc3cc1O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H26O5/c1-13-8-18-19(25(4,5)7-6-24(18,2)3)11-15(13)16-9-14-10-17(22(27)28)23(29)30-21(14)12-20(16)26/h8-12,26H,6-7H2,1-5H3,(H,27,28)
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n/an/an/a 1.32E+4n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50339081
PNG
(6-[Ethyl-(3-isobutoxy-4-isopropylphenyl)amino]nico...)
Show SMILES CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C21H28N2O3/c1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-18(15(4)5)19(11-17)26-13-14(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)
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n/an/an/a 1.30E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50391814
PNG
(CHEMBL2146901)
Show SMILES Cc1cc2c(cc1-n1nnc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C22H25N3O2/c1-13-10-15-16(22(4,5)9-8-21(15,2)3)12-19(13)25-18-7-6-14(20(26)27)11-17(18)23-24-25/h6-7,10-12H,8-9H2,1-5H3,(H,26,27)
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n/an/an/a 280n/an/an/an/an/a


TBA



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