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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'CD44 antigen' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
CD44 antigen


(Homo sapiens)
BDBM50008912
PNG
(CHEMBL3237623)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@H]8[C@H](O)[C@@H](CO)O[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O[C@H]%10[C@H](O)[C@@H](CO)O[C@@H](O[C@H]%11[C@H](O)[C@@H](O)[C@H](O)O[C@@H]%11C(O)=O)[C@@H]%10NC(C)=O)O[C@@H]9C(O)=O)[C@@H]8NC(C)=O)O[C@@H]7C(O)=O)[C@@H]6NC(C)=O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1S/C84H128N6O67/c1-13(97)85-25-37(109)31(103)19(7-91)135-74(25)147-56-39(111)45(117)80(153-62(56)68(124)125)143-51-27(87-15(3)99)76(137-21(9-93)33(51)105)149-58-41(113)47(119)82(155-64(58)70(128)129)145-53-29(89-17(5)101)78(139-23(11-95)35(53)107)151-60-43(115)49(121)84(157-66(60)72(132)133)146-54-30(90-18(6)102)79(140-24(12-96)36(54)108)152-59-42(114)48(120)83(156-65(59)71(130)131)144-52-28(88-16(4)100)77(138-22(10-94)34(52)106)150-57-40(112)46(118)81(154-63(57)69(126)127)142-50-26(86-14(2)98)75(136-20(8-92)32(50)104)148-55-38(110)44(116)73(134)141-61(55)67(122)123/h19-66,73-84,91-96,103-121,134H,7-12H2,1-6H3,(H,85,97)(H,86,98)(H,87,99)(H,88,100)(H,89,101)(H,90,102)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)/t19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,73-,74+,75+,76+,77+,78+,79+,80-,81-,82-,83-,84-/m1/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens)
BDBM50008911
PNG
(CHEMBL3237622)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@H]8[C@H](O)[C@@H](CO)O[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)O[C@@H]9C(O)=O)[C@@H]8NC(C)=O)O[C@@H]7C(O)=O)[C@@H]6NC(C)=O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1S/C70H107N5O56/c1-11(81)71-21-31(91)26(86)16(6-76)113-62(21)123-47-33(93)38(98)67(128-52(47)57(104)105)120-43-23(73-13(3)83)64(115-18(8-78)28(43)88)125-49-35(95)40(100)69(130-54(49)59(108)109)122-45-25(75-15(5)85)66(117-20(10-80)30(45)90)127-50-36(96)41(101)70(131-55(50)60(110)111)121-44-24(74-14(4)84)65(116-19(9-79)29(44)89)126-48-34(94)39(99)68(129-53(48)58(106)107)119-42-22(72-12(2)82)63(114-17(7-77)27(42)87)124-46-32(92)37(97)61(112)118-51(46)56(102)103/h16-55,61-70,76-80,86-101,112H,6-10H2,1-5H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,110,111)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,61-,62+,63+,64+,65+,66+,67-,68-,69-,70-/m1/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens)
BDBM50008910
PNG
(CHEMBL3237621)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)O[C@@H]7C(O)=O)[C@@H]6NC(C)=O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1S/C56H86N4O45/c1-9(65)57-17-25(73)21(69)13(5-61)91-50(17)99-38-27(75)31(79)54(103-42(38)46(84)85)97-35-19(59-11(3)67)52(93-15(7-63)23(35)71)101-40-29(77)33(81)56(105-44(40)48(88)89)98-36-20(60-12(4)68)53(94-16(8-64)24(36)72)102-39-28(76)32(80)55(104-43(39)47(86)87)96-34-18(58-10(2)66)51(92-14(6-62)22(34)70)100-37-26(74)30(78)49(90)95-41(37)45(82)83/h13-44,49-56,61-64,69-81,90H,5-8H2,1-4H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,82,83)(H,84,85)(H,86,87)(H,88,89)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,49-,50+,51+,52+,53+,54-,55-,56-/m1/s1
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PubMed
n/an/a 6.50E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens)
BDBM50008909
PNG
(CHEMBL3237620)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1S/C42H65N3O34/c1-7(49)43-13-19(55)16(52)10(4-46)69-38(13)75-29-21(57)24(60)41(78-32(29)35(64)65)74-27-15(45-9(3)51)40(71-12(6-48)18(27)54)77-30-22(58)25(61)42(79-33(30)36(66)67)73-26-14(44-8(2)50)39(70-11(5-47)17(26)53)76-28-20(56)23(59)37(68)72-31(28)34(62)63/h10-33,37-42,46-48,52-61,68H,4-6H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,62,63)(H,64,65)(H,66,67)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,37-,38+,39+,40+,41-,42-/m1/s1
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n/an/a 1.08E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens)
BDBM50008908
PNG
(CHEMBL3237619)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1S/C28H44N2O23/c1-5(33)29-9-13(37)11(35)7(3-31)47-26(9)51-20-15(39)17(41)28(53-22(20)24(44)45)50-18-10(30-6(2)34)27(48-8(4-32)12(18)36)52-19-14(38)16(40)25(46)49-21(19)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,25-,26+,27+,28-/m1/s1
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n/an/a 1.32E+6n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens)
BDBM50008917
PNG
(CHEMBL3237627)
Show SMILES Cc1nc[nH]c1CN1CCc2cccc(N)c2C1
Show InChI InChI=1S/C14H18N4/c1-10-14(17-9-16-10)8-18-6-5-11-3-2-4-13(15)12(11)7-18/h2-4,9H,5-8,15H2,1H3,(H,16,17)
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n/an/a 3.50E+6n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CD44 antigen


(Homo sapiens)
BDBM50008914
PNG
(CHEMBL3237624)
Show SMILES Nc1cccc2CNCCc12
Show InChI InChI=1S/C9H12N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6,10H2
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PubMed
n/an/a 6.70E+6n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CD44 antigen


(Homo sapiens)
BDBM50008916
PNG
(CHEMBL3237626)
Show SMILES Cc1nc[nH]c1CN1CCc2ccccc2C1
Show InChI InChI=1S/C14H17N3/c1-11-14(16-10-15-11)9-17-7-6-12-4-2-3-5-13(12)8-17/h2-5,10H,6-9H2,1H3,(H,15,16)
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n/an/a 1.41E+7n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CD44 antigen


(Homo sapiens)
BDBM13016
PNG
(1,2,3,4-tetrahydroisoquinoline | CHEMBL14346 | THI...)
Show SMILES C1Cc2ccccc2CN1
Show InChI InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
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n/an/a 2.70E+7n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CD44 antigen


(Homo sapiens)
BDBM50008917
PNG
(CHEMBL3237627)
Show SMILES Cc1nc[nH]c1CN1CCc2cccc(N)c2C1
Show InChI InChI=1S/C14H18N4/c1-10-14(17-9-16-10)8-18-6-5-11-3-2-4-13(15)12(11)7-18/h2-4,9H,5-8,15H2,1H3,(H,16,17)
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n/an/an/a 4.00E+5n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CD44 antigen


(Homo sapiens)
BDBM50008916
PNG
(CHEMBL3237626)
Show SMILES Cc1nc[nH]c1CN1CCc2ccccc2C1
Show InChI InChI=1S/C14H17N3/c1-11-14(16-10-15-11)9-17-7-6-12-4-2-3-5-13(12)8-17/h2-5,10H,6-9H2,1H3,(H,15,16)
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n/an/an/a 4.60E+6n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CD44 antigen


(Homo sapiens)
BDBM50008915
PNG
(CHEMBL3237625)
Show SMILES Cc1cc(N)c(N)cc1Cl
Show InChI InChI=1S/C7H9ClN2/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,9-10H2,1H3
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n/an/an/a 5.40E+6n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CD44 antigen


(Homo sapiens)
BDBM50008914
PNG
(CHEMBL3237624)
Show SMILES Nc1cccc2CNCCc12
Show InChI InChI=1S/C9H12N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6,10H2
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n/an/an/a 9.00E+5n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CD44 antigen


(Homo sapiens)
BDBM13016
PNG
(1,2,3,4-tetrahydroisoquinoline | CHEMBL14346 | THI...)
Show SMILES C1Cc2ccccc2CN1
Show InChI InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
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n/an/an/a 6.90E+6n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CD44 antigen


(Homo sapiens)
BDBM50008913
PNG
(CHEMBL3183504)
Show SMILES Cc1cccc(N)c1N
Show InChI InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3
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n/an/an/a 8.50E+6n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CD44 antigen


(Homo sapiens)
BDBM50008912
PNG
(CHEMBL3237623)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@H]8[C@H](O)[C@@H](CO)O[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O[C@H]%10[C@H](O)[C@@H](CO)O[C@@H](O[C@H]%11[C@H](O)[C@@H](O)[C@H](O)O[C@@H]%11C(O)=O)[C@@H]%10NC(C)=O)O[C@@H]9C(O)=O)[C@@H]8NC(C)=O)O[C@@H]7C(O)=O)[C@@H]6NC(C)=O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1S/C84H128N6O67/c1-13(97)85-25-37(109)31(103)19(7-91)135-74(25)147-56-39(111)45(117)80(153-62(56)68(124)125)143-51-27(87-15(3)99)76(137-21(9-93)33(51)105)149-58-41(113)47(119)82(155-64(58)70(128)129)145-53-29(89-17(5)101)78(139-23(11-95)35(53)107)151-60-43(115)49(121)84(157-66(60)72(132)133)146-54-30(90-18(6)102)79(140-24(12-96)36(54)108)152-59-42(114)48(120)83(156-65(59)71(130)131)144-52-28(88-16(4)100)77(138-22(10-94)34(52)106)150-57-40(112)46(118)81(154-63(57)69(126)127)142-50-26(86-14(2)98)75(136-20(8-92)32(50)104)148-55-38(110)44(116)73(134)141-61(55)67(122)123/h19-66,73-84,91-96,103-121,134H,7-12H2,1-6H3,(H,85,97)(H,86,98)(H,87,99)(H,88,100)(H,89,101)(H,90,102)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)/t19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,73-,74+,75+,76+,77+,78+,79+,80-,81-,82-,83-,84-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 3.40E+3n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens)
BDBM50008911
PNG
(CHEMBL3237622)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@H]8[C@H](O)[C@@H](CO)O[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)O[C@@H]9C(O)=O)[C@@H]8NC(C)=O)O[C@@H]7C(O)=O)[C@@H]6NC(C)=O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1S/C70H107N5O56/c1-11(81)71-21-31(91)26(86)16(6-76)113-62(21)123-47-33(93)38(98)67(128-52(47)57(104)105)120-43-23(73-13(3)83)64(115-18(8-78)28(43)88)125-49-35(95)40(100)69(130-54(49)59(108)109)122-45-25(75-15(5)85)66(117-20(10-80)30(45)90)127-50-36(96)41(101)70(131-55(50)60(110)111)121-44-24(74-14(4)84)65(116-19(9-79)29(44)89)126-48-34(94)39(99)68(129-53(48)58(106)107)119-42-22(72-12(2)82)63(114-17(7-77)27(42)87)124-46-32(92)37(97)61(112)118-51(46)56(102)103/h16-55,61-70,76-80,86-101,112H,6-10H2,1-5H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,110,111)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,61-,62+,63+,64+,65+,66+,67-,68-,69-,70-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/a 1.15E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens)
BDBM50008910
PNG
(CHEMBL3237621)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)O[C@@H]7C(O)=O)[C@@H]6NC(C)=O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1S/C56H86N4O45/c1-9(65)57-17-25(73)21(69)13(5-61)91-50(17)99-38-27(75)31(79)54(103-42(38)46(84)85)97-35-19(59-11(3)67)52(93-15(7-63)23(35)71)101-40-29(77)33(81)56(105-44(40)48(88)89)98-36-20(60-12(4)68)53(94-16(8-64)24(36)72)102-39-28(76)32(80)55(104-43(39)47(86)87)96-34-18(58-10(2)66)51(92-14(6-62)22(34)70)100-37-26(74)30(78)49(90)95-41(37)45(82)83/h13-44,49-56,61-64,69-81,90H,5-8H2,1-4H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,82,83)(H,84,85)(H,86,87)(H,88,89)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,49-,50+,51+,52+,53+,54-,55-,56-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 1.67E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens)
BDBM50008908
PNG
(CHEMBL3237619)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1S/C28H44N2O23/c1-5(33)29-9-13(37)11(35)7(3-31)47-26(9)51-20-15(39)17(41)28(53-22(20)24(44)45)50-18-10(30-6(2)34)27(48-8(4-32)12(18)36)52-19-14(38)16(40)25(46)49-21(19)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,25-,26+,27+,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 2.45E+5n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens)
BDBM50008909
PNG
(CHEMBL3237620)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1S/C42H65N3O34/c1-7(49)43-13-19(55)16(52)10(4-46)69-38(13)75-29-21(57)24(60)41(78-32(29)35(64)65)74-27-15(45-9(3)51)40(71-12(6-48)18(27)54)77-30-22(58)25(61)42(79-33(30)36(66)67)73-26-14(44-8(2)50)39(70-11(5-47)17(26)53)76-28-20(56)23(59)37(68)72-31(28)34(62)63/h10-33,37-42,46-48,52-61,68H,4-6H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,62,63)(H,64,65)(H,66,67)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,37-,38+,39+,40+,41-,42-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/an/a 3.88E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)

More data for this
Ligand-Target Pair