Found 13 hits with Last Name = 'hüls' and Initial = 'c' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
P-selectin
(Homo sapiens (Human)) | BDBM50214504
(CHEMBL3215420)Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H]-1-[#8]-[#6@@H](-[#6]-[#8])-[#6@@H](-[#8]-[#6@@H]-2-[#8]-[#6@@H](-[#6]-[#8])-[#6@H](-[#8])-[#6@H](-[#8][C@@]3([#6]-[#6@@H](-[#8])-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6@@H](-[#8]3)-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])[#6](-[#8])=O)-[#6@@H]-2-[#8])-[#6@H](-[#8]-[#6@@H]-2-[#8]-[#6@@H](-[#6])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H]-2-[#8])-[#6@@H]-1-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C46H78N10O28/c1-14(52-40(75)19(8-25(65)66)55-24(64)10-51-39(74)18(47)6-5-7-50-45(48)49)38(73)56-41-27(54-17(4)61)36(82-42-32(71)31(70)28(67)15(2)78-42)34(23(13-59)79-41)81-43-33(72)37(30(69)22(12-58)80-43)84-46(44(76)77)9-20(62)26(53-16(3)60)35(83-46)29(68)21(63)11-57/h14-15,18-23,26-37,41-43,57-59,62-63,67-72H,5-13,47H2,1-4H3,(H,51,74)(H,52,75)(H,53,60)(H,54,61)(H,55,64)(H,56,73)(H,65,66)(H,76,77)(H4,48,49,50)/t14-,15-,18-,19-,20+,21+,22-,23-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,41+,42-,43-,46-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of HL60 cell adhesion to recombinant P-selectin-IgG fusion protein obtained from transfected COS cells |
Bioorg Med Chem Lett 6: 509-514 (1996)
Article DOI: 10.1016/0960-894X(96)00057-1
BindingDB Entry DOI: 10.7270/Q27944P1 |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50288834
(CHEMBL3215417 | CHEMBL413369 | Sialyl-LewisX Conju...)Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCNC(=O)[C@H]3CC[C@H](CN4C(=O)C=CC4=O)CC3)O[C@@H](CO)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O |wU:49.52,51.64,5.4,42.44,6.6,55.58,22.21,71.76,47.50,77.83,11.11,62.66,53.56,1.0,wD:3.3,40.43,51.53,60.65,25.25,73.78,75.80,37.39,64.68,44.47,c:30,(10.58,2.63,;11.91,1.86,;11.91,.32,;13.25,-.45,;13.25,-1.99,;11.91,-2.76,;10.58,-1.99,;10.58,-.45,;9.25,.32,;9.25,1.86,;7.91,-.45,;9.25,-2.76,;7.91,-1.99,;6.58,-2.76,;5.25,-1.99,;3.91,-2.76,;2.58,-1.99,;1.24,-2.76,;-.09,-1.99,;-1.42,-2.76,;-2.76,-1.99,;-2.76,-.45,;-4.09,-2.76,;-4.09,-4.3,;-5.42,-5.07,;-6.76,-4.3,;-8.09,-5.07,;-9.42,-4.3,;-9.59,-2.77,;-8.44,-1.74,;-11.09,-2.45,;-11.86,-3.78,;-10.83,-4.93,;-11.15,-6.43,;-6.76,-2.76,;-5.42,-1.99,;9.25,-4.3,;10.58,-5.07,;10.58,-6.61,;9.25,-7.38,;11.91,-4.3,;13.25,-5.07,;13.25,-6.61,;11.91,-7.38,;11.91,-8.92,;10.58,-9.69,;10.58,-11.23,;13.25,-9.69,;13.25,-11.23,;14.58,-8.92,;15.92,-9.69,;15.92,-11.23,;16.44,-12.68,;15.45,-13.86,;15.98,-15.3,;13.94,-13.59,;12.95,-14.77,;13.47,-16.22,;14.99,-16.48,;12.48,-17.4,;13.41,-12.14,;14.4,-10.96,;11.89,-11.87,;11.37,-10.43,;10.9,-13.05,;11.43,-14.5,;9.39,-12.79,;8.4,-13.97,;17.43,-10.96,;17.96,-9.52,;18.42,-12.14,;14.58,-7.38,;15.92,-6.61,;14.58,.32,;15.92,-.45,;14.58,1.86,;15.92,2.63,;13.25,2.63,;13.25,4.17,)| Show InChI InChI=1S/C49H78N4O26/c1-21-34(63)37(66)38(67)46(73-21)77-42-33(52-23(3)58)45(72-15-7-5-4-6-14-50-44(69)25-10-8-24(9-11-25)17-53-30(61)12-13-31(53)62)75-29(20-56)40(42)76-47-39(68)43(36(65)28(19-55)74-47)79-49(48(70)71)16-26(59)32(51-22(2)57)41(78-49)35(64)27(60)18-54/h12-13,21,24-29,32-43,45-47,54-56,59-60,63-68H,4-11,14-20H2,1-3H3,(H,50,69)(H,51,57)(H,52,58)(H,70,71)/t21?,24?,25?,26?,27-,28?,29?,32?,33?,34?,35-,36?,37?,38?,39?,40?,41?,42?,43?,45?,46?,47?,49?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of HL60 cell adhesion to recombinant Selectin E IgG fusion protein obtained from transfected COS cells |
Bioorg Med Chem Lett 6: 509-514 (1996)
Article DOI: 10.1016/0960-894X(96)00057-1
BindingDB Entry DOI: 10.7270/Q27944P1 |
More data for this
Ligand-Target Pair | |
P-selectin
(Homo sapiens (Human)) | BDBM50288834
(CHEMBL3215417 | CHEMBL413369 | Sialyl-LewisX Conju...)Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCNC(=O)[C@H]3CC[C@H](CN4C(=O)C=CC4=O)CC3)O[C@@H](CO)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O |wU:49.52,51.64,5.4,42.44,6.6,55.58,22.21,71.76,47.50,77.83,11.11,62.66,53.56,1.0,wD:3.3,40.43,51.53,60.65,25.25,73.78,75.80,37.39,64.68,44.47,c:30,(10.58,2.63,;11.91,1.86,;11.91,.32,;13.25,-.45,;13.25,-1.99,;11.91,-2.76,;10.58,-1.99,;10.58,-.45,;9.25,.32,;9.25,1.86,;7.91,-.45,;9.25,-2.76,;7.91,-1.99,;6.58,-2.76,;5.25,-1.99,;3.91,-2.76,;2.58,-1.99,;1.24,-2.76,;-.09,-1.99,;-1.42,-2.76,;-2.76,-1.99,;-2.76,-.45,;-4.09,-2.76,;-4.09,-4.3,;-5.42,-5.07,;-6.76,-4.3,;-8.09,-5.07,;-9.42,-4.3,;-9.59,-2.77,;-8.44,-1.74,;-11.09,-2.45,;-11.86,-3.78,;-10.83,-4.93,;-11.15,-6.43,;-6.76,-2.76,;-5.42,-1.99,;9.25,-4.3,;10.58,-5.07,;10.58,-6.61,;9.25,-7.38,;11.91,-4.3,;13.25,-5.07,;13.25,-6.61,;11.91,-7.38,;11.91,-8.92,;10.58,-9.69,;10.58,-11.23,;13.25,-9.69,;13.25,-11.23,;14.58,-8.92,;15.92,-9.69,;15.92,-11.23,;16.44,-12.68,;15.45,-13.86,;15.98,-15.3,;13.94,-13.59,;12.95,-14.77,;13.47,-16.22,;14.99,-16.48,;12.48,-17.4,;13.41,-12.14,;14.4,-10.96,;11.89,-11.87,;11.37,-10.43,;10.9,-13.05,;11.43,-14.5,;9.39,-12.79,;8.4,-13.97,;17.43,-10.96,;17.96,-9.52,;18.42,-12.14,;14.58,-7.38,;15.92,-6.61,;14.58,.32,;15.92,-.45,;14.58,1.86,;15.92,2.63,;13.25,2.63,;13.25,4.17,)| Show InChI InChI=1S/C49H78N4O26/c1-21-34(63)37(66)38(67)46(73-21)77-42-33(52-23(3)58)45(72-15-7-5-4-6-14-50-44(69)25-10-8-24(9-11-25)17-53-30(61)12-13-31(53)62)75-29(20-56)40(42)76-47-39(68)43(36(65)28(19-55)74-47)79-49(48(70)71)16-26(59)32(51-22(2)57)41(78-49)35(64)27(60)18-54/h12-13,21,24-29,32-43,45-47,54-56,59-60,63-68H,4-11,14-20H2,1-3H3,(H,50,69)(H,51,57)(H,52,58)(H,70,71)/t21?,24?,25?,26?,27-,28?,29?,32?,33?,34?,35-,36?,37?,38?,39?,40?,41?,42?,43?,45?,46?,47?,49?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of HL60 cell adhesion to recombinant P-selectin-IgG fusion protein obtained from transfected COS cells |
Bioorg Med Chem Lett 6: 509-514 (1996)
Article DOI: 10.1016/0960-894X(96)00057-1
BindingDB Entry DOI: 10.7270/Q27944P1 |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50288839
(CHEMBL264987 | CHEMBL3215419 | Sialyl-LewisX Conju...)Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCCCCO[C@@H]3O[C@@H](CO)[C@@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3NC(C)=O)[C@@]1([H])NC(=O)N2 Show InChI InChI=1S/C47H79N5O25S/c1-19-32(61)35(64)36(65)43(71-19)75-40-31(50-21(3)57)42(70-13-9-5-4-8-12-48-28(60)11-7-6-10-27-29-22(18-78-27)51-46(69)52-29)73-26(17-55)38(40)74-44-37(66)41(34(63)25(16-54)72-44)77-47(45(67)68)14-23(58)30(49-20(2)56)39(76-47)33(62)24(59)15-53/h19,22-27,29-44,53-55,58-59,61-66H,4-18H2,1-3H3,(H,48,60)(H,49,56)(H,50,57)(H,67,68)(H2,51,52,69)/t19?,22-,23?,24+,25?,26?,27?,29-,30?,31?,32?,33+,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,47?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of HL60 cell adhesion to recombinant Selectin E IgG fusion protein obtained from transfected COS cells |
Bioorg Med Chem Lett 6: 509-514 (1996)
Article DOI: 10.1016/0960-894X(96)00057-1
BindingDB Entry DOI: 10.7270/Q27944P1 |
More data for this
Ligand-Target Pair | |
P-selectin
(Homo sapiens (Human)) | BDBM50288839
(CHEMBL264987 | CHEMBL3215419 | Sialyl-LewisX Conju...)Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCCCCO[C@@H]3O[C@@H](CO)[C@@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3NC(C)=O)[C@@]1([H])NC(=O)N2 Show InChI InChI=1S/C47H79N5O25S/c1-19-32(61)35(64)36(65)43(71-19)75-40-31(50-21(3)57)42(70-13-9-5-4-8-12-48-28(60)11-7-6-10-27-29-22(18-78-27)51-46(69)52-29)73-26(17-55)38(40)74-44-37(66)41(34(63)25(16-54)72-44)77-47(45(67)68)14-23(58)30(49-20(2)56)39(76-47)33(62)24(59)15-53/h19,22-27,29-44,53-55,58-59,61-66H,4-18H2,1-3H3,(H,48,60)(H,49,56)(H,50,57)(H,67,68)(H2,51,52,69)/t19?,22-,23?,24+,25?,26?,27?,29-,30?,31?,32?,33+,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,47?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of HL60 cell adhesion to recombinant P-selectin-IgG fusion protein obtained from transfected COS cells |
Bioorg Med Chem Lett 6: 509-514 (1996)
Article DOI: 10.1016/0960-894X(96)00057-1
BindingDB Entry DOI: 10.7270/Q27944P1 |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50214503
(CHEMBL3215418)Show SMILES [#6]-[#6@@H]-1-[#8]-[#6@@H](-[#8]-[#6@@H]-2-[#6@H](-[#7]-[#6](-[#6])=O)-[#6@H](-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#16])\[#7]=[#6]-3/[#6]=[#6]\[#6](\[#6](=[#6]-3)-[#6](-[#8])=O)=[#6]-3/c4ccc(-[#8])cc4-[#8]-c4cc(-[#8])ccc-34)-[#8]-[#6@@H](-[#6]-[#8])-[#6@H]-2-[#8]-[#6@@H]-2-[#8]-[#6@@H](-[#6]-[#8])-[#6@H](-[#8])-[#6@H](-[#8][C@@]3([#6]-[#6@@H](-[#8])-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6@@H](-[#8]3)-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])[#6](-[#8])=O)-[#6@@H]-2-[#8])-[#6@@H](-[#8])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |c:24,27| Show InChI InChI=1S/C58H76N4O28S/c1-23-42(72)45(75)46(76)54(83-23)88-50-41(61-25(3)67)53(82-15-7-5-4-6-14-59-57(91)62-26-8-11-29(32(16-26)52(78)79)39-30-12-9-27(68)17-35(30)84-36-18-28(69)10-13-31(36)39)86-38(22-65)48(50)87-55-47(77)51(44(74)37(21-64)85-55)90-58(56(80)81)19-33(70)40(60-24(2)66)49(89-58)43(73)34(71)20-63/h8-13,16-18,23,33-34,37-38,40-51,53-55,63-65,68-77H,4-7,14-15,19-22H2,1-3H3,(H,59,91)(H,60,66)(H,61,67)(H,78,79)(H,80,81)/b62-26+/t23-,33+,34+,37-,38-,40+,41-,42+,43+,44-,45-,46-,47-,48+,49+,50+,51-,53+,54-,55-,58-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of HL60 cell adhesion to recombinant Selectin E IgG fusion protein obtained from transfected COS cells |
Bioorg Med Chem Lett 6: 509-514 (1996)
Article DOI: 10.1016/0960-894X(96)00057-1
BindingDB Entry DOI: 10.7270/Q27944P1 |
More data for this
Ligand-Target Pair | |
P-selectin
(Homo sapiens (Human)) | BDBM50214503
(CHEMBL3215418)Show SMILES [#6]-[#6@@H]-1-[#8]-[#6@@H](-[#8]-[#6@@H]-2-[#6@H](-[#7]-[#6](-[#6])=O)-[#6@H](-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#16])\[#7]=[#6]-3/[#6]=[#6]\[#6](\[#6](=[#6]-3)-[#6](-[#8])=O)=[#6]-3/c4ccc(-[#8])cc4-[#8]-c4cc(-[#8])ccc-34)-[#8]-[#6@@H](-[#6]-[#8])-[#6@H]-2-[#8]-[#6@@H]-2-[#8]-[#6@@H](-[#6]-[#8])-[#6@H](-[#8])-[#6@H](-[#8][C@@]3([#6]-[#6@@H](-[#8])-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6@@H](-[#8]3)-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])[#6](-[#8])=O)-[#6@@H]-2-[#8])-[#6@@H](-[#8])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |c:24,27| Show InChI InChI=1S/C58H76N4O28S/c1-23-42(72)45(75)46(76)54(83-23)88-50-41(61-25(3)67)53(82-15-7-5-4-6-14-59-57(91)62-26-8-11-29(32(16-26)52(78)79)39-30-12-9-27(68)17-35(30)84-36-18-28(69)10-13-31(36)39)86-38(22-65)48(50)87-55-47(77)51(44(74)37(21-64)85-55)90-58(56(80)81)19-33(70)40(60-24(2)66)49(89-58)43(73)34(71)20-63/h8-13,16-18,23,33-34,37-38,40-51,53-55,63-65,68-77H,4-7,14-15,19-22H2,1-3H3,(H,59,91)(H,60,66)(H,61,67)(H,78,79)(H,80,81)/b62-26+/t23-,33+,34+,37-,38-,40+,41-,42+,43+,44-,45-,46-,47-,48+,49+,50+,51-,53+,54-,55-,58-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 9.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of HL60 cell adhesion to recombinant P-selectin-IgG fusion protein obtained from transfected COS cells |
Bioorg Med Chem Lett 6: 509-514 (1996)
Article DOI: 10.1016/0960-894X(96)00057-1
BindingDB Entry DOI: 10.7270/Q27944P1 |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50214504
(CHEMBL3215420)Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H]-1-[#8]-[#6@@H](-[#6]-[#8])-[#6@@H](-[#8]-[#6@@H]-2-[#8]-[#6@@H](-[#6]-[#8])-[#6@H](-[#8])-[#6@H](-[#8][C@@]3([#6]-[#6@@H](-[#8])-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6@@H](-[#8]3)-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])[#6](-[#8])=O)-[#6@@H]-2-[#8])-[#6@H](-[#8]-[#6@@H]-2-[#8]-[#6@@H](-[#6])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H]-2-[#8])-[#6@@H]-1-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C46H78N10O28/c1-14(52-40(75)19(8-25(65)66)55-24(64)10-51-39(74)18(47)6-5-7-50-45(48)49)38(73)56-41-27(54-17(4)61)36(82-42-32(71)31(70)28(67)15(2)78-42)34(23(13-59)79-41)81-43-33(72)37(30(69)22(12-58)80-43)84-46(44(76)77)9-20(62)26(53-16(3)60)35(83-46)29(68)21(63)11-57/h14-15,18-23,26-37,41-43,57-59,62-63,67-72H,5-13,47H2,1-4H3,(H,51,74)(H,52,75)(H,53,60)(H,54,61)(H,55,64)(H,56,73)(H,65,66)(H,76,77)(H4,48,49,50)/t14-,15-,18-,19-,20+,21+,22-,23-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,41+,42-,43-,46-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of HL60 cell adhesion to recombinant Selectin E IgG fusion protein obtained from transfected COS cells |
Bioorg Med Chem Lett 6: 509-514 (1996)
Article DOI: 10.1016/0960-894X(96)00057-1
BindingDB Entry DOI: 10.7270/Q27944P1 |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50214505
(CHEMBL3215422)Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCN)O[C@@H](CO)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C37H65N3O23/c1-14-23(48)26(51)27(52)34(57-14)61-31-22(40-16(3)45)33(56-9-7-5-4-6-8-38)59-20(13-43)29(31)60-35-28(53)32(25(50)19(12-42)58-35)63-37(36(54)55)10-17(46)21(39-15(2)44)30(62-37)24(49)18(47)11-41/h14,17-35,41-43,46-53H,4-13,38H2,1-3H3,(H,39,44)(H,40,45)(H,54,55)/t14-,17+,18+,19-,20-,21+,22-,23+,24+,25-,26-,27-,28-,29+,30+,31+,32-,33+,34-,35-,37-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of HL60 cell adhesion to recombinant Selectin E IgG fusion protein obtained from transfected COS cells |
Bioorg Med Chem Lett 6: 509-514 (1996)
Article DOI: 10.1016/0960-894X(96)00057-1
BindingDB Entry DOI: 10.7270/Q27944P1 |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50288835
(CHEMBL3215423 | CHEMBL405132 | Sialyl-LewisX Conju...)Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCNC(=O)CCC(O)=O)O[C@@H](CO)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C41H69N3O26/c1-16-27(55)30(58)31(59)38(64-16)68-35-26(44-18(3)49)37(63-11-7-5-4-6-10-42-23(52)8-9-24(53)54)66-22(15-47)33(35)67-39-32(60)36(29(57)21(14-46)65-39)70-41(40(61)62)12-19(50)25(43-17(2)48)34(69-41)28(56)20(51)13-45/h16,19-22,25-39,45-47,50-51,55-60H,4-15H2,1-3H3,(H,42,52)(H,43,48)(H,44,49)(H,53,54)(H,61,62)/t16?,19?,20-,21?,22?,25?,26?,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,41?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.15E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of HL60 cell adhesion to recombinant Selectin E IgG fusion protein obtained from transfected COS cells |
Bioorg Med Chem Lett 6: 509-514 (1996)
Article DOI: 10.1016/0960-894X(96)00057-1
BindingDB Entry DOI: 10.7270/Q27944P1 |
More data for this
Ligand-Target Pair | |
P-selectin
(Homo sapiens (Human)) | BDBM50288835
(CHEMBL3215423 | CHEMBL405132 | Sialyl-LewisX Conju...)Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCNC(=O)CCC(O)=O)O[C@@H](CO)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C41H69N3O26/c1-16-27(55)30(58)31(59)38(64-16)68-35-26(44-18(3)49)37(63-11-7-5-4-6-10-42-23(52)8-9-24(53)54)66-22(15-47)33(35)67-39-32(60)36(29(57)21(14-46)65-39)70-41(40(61)62)12-19(50)25(43-17(2)48)34(69-41)28(56)20(51)13-45/h16,19-22,25-39,45-47,50-51,55-60H,4-15H2,1-3H3,(H,42,52)(H,43,48)(H,44,49)(H,53,54)(H,61,62)/t16?,19?,20-,21?,22?,25?,26?,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,41?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of HL60 cell adhesion to recombinant P-selectin-IgG fusion protein obtained from transfected COS cells |
Bioorg Med Chem Lett 6: 509-514 (1996)
Article DOI: 10.1016/0960-894X(96)00057-1
BindingDB Entry DOI: 10.7270/Q27944P1 |
More data for this
Ligand-Target Pair | |
P-selectin
(Homo sapiens (Human)) | BDBM50214505
(CHEMBL3215422)Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCN)O[C@@H](CO)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C37H65N3O23/c1-14-23(48)26(51)27(52)34(57-14)61-31-22(40-16(3)45)33(56-9-7-5-4-6-8-38)59-20(13-43)29(31)60-35-28(53)32(25(50)19(12-42)58-35)63-37(36(54)55)10-17(46)21(39-15(2)44)30(62-37)24(49)18(47)11-41/h14,17-35,41-43,46-53H,4-13,38H2,1-3H3,(H,39,44)(H,40,45)(H,54,55)/t14-,17+,18+,19-,20-,21+,22-,23+,24+,25-,26-,27-,28-,29+,30+,31+,32-,33+,34-,35-,37-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of HL60 cell adhesion to recombinant P-selectin-IgG fusion protein obtained from transfected COS cells |
Bioorg Med Chem Lett 6: 509-514 (1996)
Article DOI: 10.1016/0960-894X(96)00057-1
BindingDB Entry DOI: 10.7270/Q27944P1 |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50288840
(CHEMBL3215421 | CHEMBL441199 | Sialyl-LewisX Conju...)Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1NC(C)=O Show InChI InChI=1S/C50H81N9O28/c1-18(54-45(78)23-8-6-10-59(23)30(69)14-52-28(67)13-53-44(77)22-7-5-9-58(22)29(68)12-51)43(76)57-46-32(56-21(4)64)41(85-47-37(74)36(73)33(70)19(2)81-47)39(27(17-62)82-46)84-48-38(75)42(35(72)26(16-61)83-48)87-50(49(79)80)11-24(65)31(55-20(3)63)40(86-50)34(71)25(66)15-60/h18-19,22-27,31-42,46-48,60-62,65-66,70-75H,5-17,51H2,1-4H3,(H,52,67)(H,53,77)(H,54,78)(H,55,63)(H,56,64)(H,57,76)(H,79,80)/t18-,19?,22-,23-,24?,25+,26?,27?,31?,32?,33?,34+,35?,36?,37?,38?,39?,40?,41?,42?,46?,47?,48?,50?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of HL60 cell adhesion to recombinant Selectin E IgG fusion protein obtained from transfected COS cells |
Bioorg Med Chem Lett 6: 509-514 (1996)
Article DOI: 10.1016/0960-894X(96)00057-1
BindingDB Entry DOI: 10.7270/Q27944P1 |
More data for this
Ligand-Target Pair | |
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