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34 similar compounds to monomer 50092310

Wt: 1032.9
BDBM50051835		Wt: 749.6
BDBM50050456		Wt: 733.6
BDBM50050458		Wt: 820.7
BDBM50056133		Wt: 1069.0
BDBM50072069
Wt: 817.7
BDBM50104841		Wt: 818.7
BDBM50168310		Wt: 820.7
BDBM50288934		Wt: 460.4
BDBM50060513		Wt: 317.3
BDBM50050457Purchase
Wt: 360.4
BDBM50050498		Wt: 360.4
BDBM50050499		Wt: 347.3
BDBM50048253		Wt: 417.3
BDBM50071584		Wt: 558.5
BDBM50087286
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50051835,50050456,50050458,50056133,50072069,50104841,50168310,50288934,50060513,50050457,50050498,50050499,50048253,50071584,50087286   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Selectin E


(Homo sapiens)		BDBM50051835
PNG
(CHEMBL2368520 | Ethyl(Sodium 5-actamido-3,5-dideox...)
Show SMILES [Na+].CCO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@H](O[C@@]4(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O4)[C@H](O)[C@H](O)CO)C([O-])=O)[C@@H]3O)[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2NC(C)=O)[C@@H]1O
Show InChI InChI=1S/C39H66N2O28.Na/c1-5-60-35-27(56)32(23(52)16(8-43)62-35)67-34-20(41-13(4)47)31(66-36-26(55)25(54)21(50)11(2)61-36)29(18(10-45)64-34)65-37-28(57)33(24(53)17(9-44)63-37)69-39(38(58)59)6-14(48)19(40-12(3)46)30(68-39)22(51)15(49)7-42;/h11,14-37,42-45,48-57H,5-10H2,1-4H3,(H,40,46)(H,41,47)(H,58,59);/q;+1/p-1/t11-,14+,15+,16-,17-,18-,19+,20-,21+,22+,23-,24-,25-,26-,27-,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,39-;/m0./s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



Cytel Corporation

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of E-selectin-mediated cellular adhesion

J Med Chem 39: 1357-60 (1996)


Article DOI: 10.1021/jm9600611
BindingDB Entry DOI: 10.7270/Q22R3QQ2
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)		BDBM50288934
PNG
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18+,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?/m1/s1
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n/an/a 3.40E+6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of P-selectin in human HL-60 cells

J Med Chem 53: 6003-17 (2010)


Article DOI: 10.1021/jm9013696
BindingDB Entry DOI: 10.7270/Q2R211M0
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens)		BDBM50056133
PNG
(5-Acetylamino-2-(3,5-dihydroxy-2-hydroxymethyl-6-N...)
Show SMILES CC1OC(OC2C(NC(C)=O)[C@@H](O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18-,19?,20?,21?,22?,23?,24?,25?,26?,27+,28?,29?,31?/m1/s1
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n/an/a 6.00E+5n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against E-selectin expressed in endothelial cells

J Med Chem 40: 362-9 (1997)


Article DOI: 10.1021/jm9606103
BindingDB Entry DOI: 10.7270/Q2QV3KM0
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)		BDBM50056133
PNG
(5-Acetylamino-2-(3,5-dihydroxy-2-hydroxymethyl-6-N...)
Show SMILES CC1OC(OC2C(NC(C)=O)[C@@H](O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18-,19?,20?,21?,22?,23?,24?,25?,26?,27+,28?,29?,31?/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Selectin P expressed in endothelial cells

J Med Chem 40: 362-9 (1997)


Article DOI: 10.1021/jm9606103
BindingDB Entry DOI: 10.7270/Q2QV3KM0
More data for this
Ligand-Target Pair
Selectin E


(Rattus norvegicus)		BDBM50072069
PNG
(CHEMBL3215346 | CHEMBL384874 | Sialyl Lewis X anal...)
Show SMILES CCOCCOCCOCCOCCOCCO[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/C43H76N2O28/c1-5-61-6-7-62-8-9-63-10-11-64-12-13-65-14-15-66-39-28(45-22(4)50)37(71-40-33(57)32(56)29(53)20(2)67-40)35(26(19-48)69-39)70-41-34(58)38(31(55)25(18-47)68-41)73-43(42(59)60)16-23(51)27(44-21(3)49)36(72-43)30(54)24(52)17-46/h20,23-41,46-48,51-58H,5-19H2,1-4H3,(H,44,49)(H,45,50)(H,59,60)/t20?,23?,24-,25?,26?,27?,28?,29?,30-,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,43?/m1/s1
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n/an/a 2.63E+3n/an/an/an/an/an/a



Drug Delivery System Institute, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Selectin E expressed at the inflammatory lesion was measured by inhibition of leukocyte rolling in the inflammatory ...

Bioorg Med Chem Lett 8: 2783-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00488-0
BindingDB Entry DOI: 10.7270/Q2B56HX1
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))		BDBM50048253
PNG
(CHEMBL3310781)
Show SMILES Oc1nc(SCc2cccc(F)c2F)nc(C2CCCC2)c1C#N
Show InChI InChI=1S/C17H15F2N3OS/c18-13-7-3-6-11(14(13)19)9-24-17-21-15(10-4-1-2-5-10)12(8-20)16(23)22-17/h3,6-7,10H,1-2,4-5,9H2,(H,21,22,23)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay

Bioorg Med Chem Lett 24: 3285-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.011
BindingDB Entry DOI: 10.7270/Q2930VTJ
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))		BDBM50050457
PNG
(CHEMBL3188245)
Show SMILES O=C(Nc1cccc(NC(=O)c2ccncc2)c1)c1ccccc1
Show InChI InChI=1S/C19H15N3O2/c23-18(14-5-2-1-3-6-14)21-16-7-4-8-17(13-16)22-19(24)15-9-11-20-12-10-15/h1-13H,(H,21,23)(H,22,24)
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n/an/a 250n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay

Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))		BDBM50050498
PNG
(CHEMBL3187806)
Show SMILES COc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
Show InChI InChI=1S/C22H20N2O3/c1-15-6-3-7-16(12-15)21(25)23-18-9-5-10-19(14-18)24-22(26)17-8-4-11-20(13-17)27-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/a 31n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay

Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))		BDBM50050499
PNG
(CHEMBL3188671)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
Show InChI InChI=1S/C22H20N2O3/c1-15-5-3-6-17(13-15)22(26)24-19-8-4-7-18(14-19)23-21(25)16-9-11-20(27-2)12-10-16/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay

Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 9


(Homo sapiens)		BDBM50050457
PNG
(CHEMBL3188245)
Show SMILES O=C(Nc1cccc(NC(=O)c2ccncc2)c1)c1ccccc1
Show InChI InChI=1S/C19H15N3O2/c23-18(14-5-2-1-3-6-14)21-16-7-4-8-17(13-16)22-19(24)15-9-11-20-12-10-15/h1-13H,(H,21,23)(H,22,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-3 (unknown origin) expressed in CHO cells by thallium flux assay

Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 9


(Homo sapiens)		BDBM50050498
PNG
(CHEMBL3187806)
Show SMILES COc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
Show InChI InChI=1S/C22H20N2O3/c1-15-6-3-7-16(12-15)21(25)23-18-9-5-10-19(14-18)24-22(26)17-8-4-11-20(13-17)27-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-3 (unknown origin) expressed in CHO cells by thallium flux assay

Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 9


(Homo sapiens)		BDBM50050499
PNG
(CHEMBL3188671)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
Show InChI InChI=1S/C22H20N2O3/c1-15-5-3-6-17(13-15)22(26)24-19-8-4-7-18(14-19)23-21(25)16-9-11-20(27-2)12-10-16/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of TASK-3 (unknown origin) expressed in CHO cells by thallium flux assay

Bioorg Med Chem Lett 24: 3968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.032
BindingDB Entry DOI: 10.7270/Q2805487
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50060513
PNG
(CHEMBL3394453)
Show SMILES COc1cc(NC(=O)C2(CC2)C(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)ccc1F
Show InChI InChI=1S/C25H21FN4O4/c1-33-20-13-16(9-10-18(20)26)29-24(32)25(11-12-25)23(31)28-15-7-5-14(6-8-15)17-3-2-4-19-21(17)22(27)30-34-19/h2-10,13H,11-12H2,1H3,(H2,27,30)(H,28,31)(H,29,32)
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n/an/a 58n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant c-MET (unknown origin) using poly (Glu, Tyr) substrate after 60 mins by ELISA

Bioorg Med Chem 23: 564-78 (2015)


Article DOI: 10.1016/j.bmc.2014.12.002
BindingDB Entry DOI: 10.7270/Q2VT1TRT
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))		BDBM50071584
PNG
(CHEMBL3410606)
Show SMILES CCOC(=O)c1sc(Nc2ccc(Br)cc2C)nc1-c1ccccc1
Show InChI InChI=1S/C19H17BrN2O2S/c1-3-24-18(23)17-16(13-7-5-4-6-8-13)22-19(25-17)21-15-10-9-14(20)11-12(15)2/h4-11H,3H2,1-2H3,(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay

J Med Chem 58: 1123-39 (2015)


Article DOI: 10.1021/jm501127s
BindingDB Entry DOI: 10.7270/Q21C1ZK9
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)		BDBM50168310
PNG
(CHEMBL425373 | [ alpha-Neu5Ac-(2,3)-beta-D-Gal-(1,...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(C3)[C@H](O)C(O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C32H54N2O22/c1-9-19(42)22(45)23(46)29(51-9)55-26-18(34-11(3)39)28(48)52-16(8-37)25(26)54-30-24(47)27(21(44)15(7-36)53-30)56-32(31(49)50)4-12(20(43)14(41)6-35)17(13(40)5-32)33-10(2)38/h9,12-30,35-37,40-48H,4-8H2,1-3H3,(H,33,38)(H,34,39)(H,49,50)/t9?,12?,13?,14?,15?,16?,17?,18?,19?,20-,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?/m0/s1
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n/an/a 1.20E+7n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of HL-60 cell adhesion to recombinant human Selectin P

Bioorg Med Chem Lett 15: 3224-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.004
BindingDB Entry DOI: 10.7270/Q23N22WB
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens)		BDBM50168310
PNG
(CHEMBL425373 | [ alpha-Neu5Ac-(2,3)-beta-D-Gal-(1,...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(C3)[C@H](O)C(O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C32H54N2O22/c1-9-19(42)22(45)23(46)29(51-9)55-26-18(34-11(3)39)28(48)52-16(8-37)25(26)54-30-24(47)27(21(44)15(7-36)53-30)56-32(31(49)50)4-12(20(43)14(41)6-35)17(13(40)5-32)33-10(2)38/h9,12-30,35-37,40-48H,4-8H2,1-3H3,(H,33,38)(H,34,39)(H,49,50)/t9?,12?,13?,14?,15?,16?,17?,18?,19?,20-,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?/m0/s1
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n/an/a 7.00E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of HL-60 cell adhesion to recombinant human Selectin E

Bioorg Med Chem Lett 15: 3224-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.004
BindingDB Entry DOI: 10.7270/Q23N22WB
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))		BDBM50087286
PNG
(CHEMBL3426636)
Show SMILES CC[C@@H](C)OC(=O)c1ccc(F)c(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
Show InChI InChI=1S/C31H28F2N4O4/c1-3-18(2)41-31(40)22-9-10-25(32)28(15-22)37-29(38)20-6-4-5-19(13-20)24-14-21(7-8-23(24)16-34)30(39)36-27-11-12-35-17-26(27)33/h4-15,17-18H,3,16,34H2,1-2H3,(H,37,38)(H,35,36,39)/t18-/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...

J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)		BDBM50050456
PNG
(5-(2-{3,5-Dihydroxy-2-hydroxymethyl-6-[2-hydroxyme...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@H](CO)[C@H]2O[C@@H]2O[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](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C28H47NO22/c1-7-14(36)16(38)18(40)25(46-7)47-20-11(35)6-45-12(5-31)21(20)48-26-19(41)17(39)23(24(42)49-26)51-28(27(43)44)3-9(33)13(29-8(2)32)22(50-28)15(37)10(34)4-30/h7,9-26,30-31,33-42H,3-6H2,1-2H3,(H,29,32)(H,43,44)/t7-,9-,10+,11-,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23+,24-,25-,26+,28-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Institute of Cancer Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human chimeric Selectin P-Ig

J Med Chem 39: 1339-43 (1996)


Article DOI: 10.1021/jm9506478
BindingDB Entry DOI: 10.7270/Q2513ZWW
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)		BDBM50050458
PNG
(5-Acetylamino-2-{3,5-dihydroxy-2-hydroxymethyl-6-[...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[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](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C28H47NO21/c1-8-15(35)17(37)19(39)25(45-8)46-12-3-4-44-13(7-31)21(12)47-26-20(40)18(38)23(24(41)48-26)50-28(27(42)43)5-10(33)14(29-9(2)32)22(49-28)16(36)11(34)6-30/h8,10-26,30-31,33-41H,3-7H2,1-2H3,(H,29,32)(H,42,43)/t8-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24-,25-,26+,28-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Institute of Cancer Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human chimeric Selectin P-Ig

J Med Chem 39: 1339-43 (1996)


Article DOI: 10.1021/jm9506478
BindingDB Entry DOI: 10.7270/Q2513ZWW
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Homo sapiens)		BDBM50050456
PNG
(5-(2-{3,5-Dihydroxy-2-hydroxymethyl-6-[2-hydroxyme...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@H](CO)[C@H]2O[C@@H]2O[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](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C28H47NO22/c1-7-14(36)16(38)18(40)25(46-7)47-20-11(35)6-45-12(5-31)21(20)48-26-19(41)17(39)23(24(42)49-26)51-28(27(43)44)3-9(33)13(29-8(2)32)22(50-28)15(37)10(34)4-30/h7,9-26,30-31,33-42H,3-6H2,1-2H3,(H,29,32)(H,43,44)/t7-,9-,10+,11-,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23+,24-,25-,26+,28-/m0/s1
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n/an/a 2.20E+5n/an/an/an/an/an/a



Institute of Cancer Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human chimeric L-selectin-Ig

J Med Chem 39: 1339-43 (1996)


Article DOI: 10.1021/jm9506478
BindingDB Entry DOI: 10.7270/Q2513ZWW
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Homo sapiens)		BDBM50050458
PNG
(5-Acetylamino-2-{3,5-dihydroxy-2-hydroxymethyl-6-[...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[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](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C28H47NO21/c1-8-15(35)17(37)19(39)25(45-8)46-12-3-4-44-13(7-31)21(12)47-26-20(40)18(38)23(24(41)48-26)50-28(27(42)43)5-10(33)14(29-9(2)32)22(49-28)16(36)11(34)6-30/h8,10-26,30-31,33-41H,3-7H2,1-2H3,(H,29,32)(H,42,43)/t8-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24-,25-,26+,28-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Institute of Cancer Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human chimeric L-selectin-Ig

J Med Chem 39: 1339-43 (1996)


Article DOI: 10.1021/jm9506478
BindingDB Entry DOI: 10.7270/Q2513ZWW
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens)		BDBM50050458
PNG
(5-Acetylamino-2-{3,5-dihydroxy-2-hydroxymethyl-6-[...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[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](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C28H47NO21/c1-8-15(35)17(37)19(39)25(45-8)46-12-3-4-44-13(7-31)21(12)47-26-20(40)18(38)23(24(41)48-26)50-28(27(42)43)5-10(33)14(29-9(2)32)22(49-28)16(36)11(34)6-30/h8,10-26,30-31,33-41H,3-7H2,1-2H3,(H,29,32)(H,42,43)/t8-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24-,25-,26+,28-/m0/s1
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n/an/a 3.60E+5n/an/an/an/an/an/a



Institute of Cancer Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human chimeric E-selectin-Ig

J Med Chem 39: 1339-43 (1996)


Article DOI: 10.1021/jm9506478
BindingDB Entry DOI: 10.7270/Q2513ZWW
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens)		BDBM50050456
PNG
(5-(2-{3,5-Dihydroxy-2-hydroxymethyl-6-[2-hydroxyme...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@H](CO)[C@H]2O[C@@H]2O[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](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C28H47NO22/c1-7-14(36)16(38)18(40)25(46-7)47-20-11(35)6-45-12(5-31)21(20)48-26-19(41)17(39)23(24(42)49-26)51-28(27(43)44)3-9(33)13(29-8(2)32)22(50-28)15(37)10(34)4-30/h7,9-26,30-31,33-42H,3-6H2,1-2H3,(H,29,32)(H,43,44)/t7-,9-,10+,11-,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23+,24-,25-,26+,28-/m0/s1
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n/an/a 2.40E+5n/an/an/an/an/an/a



Institute of Cancer Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human chimeric E-selectin-Ig

J Med Chem 39: 1339-43 (1996)


Article DOI: 10.1021/jm9506478
BindingDB Entry DOI: 10.7270/Q2513ZWW
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)		BDBM50288934
PNG
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18+,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Blocking activity on Selectin P ligand binding

J Med Chem 39: 4547-53 (1996)


Article DOI: 10.1021/jm960134g
BindingDB Entry DOI: 10.7270/Q2CN74KH
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)		BDBM50050456
PNG
(5-(2-{3,5-Dihydroxy-2-hydroxymethyl-6-[2-hydroxyme...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@H](CO)[C@H]2O[C@@H]2O[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](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C28H47NO22/c1-7-14(36)16(38)18(40)25(46-7)47-20-11(35)6-45-12(5-31)21(20)48-26-19(41)17(39)23(24(42)49-26)51-28(27(43)44)3-9(33)13(29-8(2)32)22(50-28)15(37)10(34)4-30/h7,9-26,30-31,33-42H,3-6H2,1-2H3,(H,29,32)(H,43,44)/t7-,9-,10+,11-,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23+,24-,25-,26+,28-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Blocking activity on Selectin P ligand binding

J Med Chem 39: 4547-53 (1996)


Article DOI: 10.1021/jm960134g
BindingDB Entry DOI: 10.7270/Q2CN74KH
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)		BDBM50050458
PNG
(5-Acetylamino-2-{3,5-dihydroxy-2-hydroxymethyl-6-[...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[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](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C28H47NO21/c1-8-15(35)17(37)19(39)25(45-8)46-12-3-4-44-13(7-31)21(12)47-26-20(40)18(38)23(24(41)48-26)50-28(27(42)43)5-10(33)14(29-9(2)32)22(49-28)16(36)11(34)6-30/h8,10-26,30-31,33-41H,3-7H2,1-2H3,(H,29,32)(H,42,43)/t8-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24-,25-,26+,28-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Blocking activity on Selectin P ligand binding

J Med Chem 39: 4547-53 (1996)


Article DOI: 10.1021/jm960134g
BindingDB Entry DOI: 10.7270/Q2CN74KH
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)		BDBM50288934
PNG
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18+,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Ontogen Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against P-selectin using ELISA-based assay

J Med Chem 44: 2094-107 (2001)


Article DOI: 10.1021/jm000508c
BindingDB Entry DOI: 10.7270/Q2VH5PHF
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens)		BDBM50104841
PNG
(2-[2-(2-methyltetrahydro-2H-3,4,5pyrantoilmethyl-6...)
Show SMILES CC1OC(CC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@@H](O)CO)C([O-])=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C32H54N2O22/c1-9-20(42)24(46)22(44)15(51-9)4-12-18(33-10(2)38)29(48)52-17(8-37)26(12)54-30-25(47)28(23(45)16(7-36)53-30)56-32(31(49)50)5-13(40)19(34-11(3)39)27(55-32)21(43)14(41)6-35/h9,12-30,35-37,40-48H,4-8H2,1-3H3,(H,33,38)(H,34,39)(H,49,50)/p-1/t9?,12?,13?,14-,15?,16?,17?,18?,19?,20?,21+,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?/m0/s1
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n/an/a 7.00E+5n/an/an/an/an/an/a



Griffith University (Gold Coast Campus)

Curated by ChEMBL


Assay Description
Inhibitory activity against selectin E was determined

J Med Chem 44: 3292-301 (2001)


Article DOI: 10.1021/jm0100887
BindingDB Entry DOI: 10.7270/Q2CC11D0
More data for this
Ligand-Target Pair
Selectin E


(Mus musculus)		BDBM50288934
PNG
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18+,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?/m1/s1
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n/an/a 5.80E+5n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Evaluated for the inhibitory activity against Selectin E

J Med Chem 43: 1476-83 (2000)


Article DOI: 10.1021/jm990342j
BindingDB Entry DOI: 10.7270/Q2K64JRZ
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)		BDBM50288934
PNG
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18+,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?/m1/s1
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n/an/a>4.00E+6n/an/an/an/an/an/a



Revotar Biopharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human P-selectin after 2 hrs

J Med Chem 50: 1101-15 (2007)


Article DOI: 10.1021/jm060536g
BindingDB Entry DOI: 10.7270/Q2TB17Q6
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens)		BDBM50288934
PNG
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18+,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?/m1/s1
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n/an/a 1.34E+5n/an/an/an/an/an/a



Revotar Biopharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human E-selectin after 2 hrs

J Med Chem 50: 1101-15 (2007)


Article DOI: 10.1021/jm060536g
BindingDB Entry DOI: 10.7270/Q2TB17Q6
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Homo sapiens)		BDBM50288934
PNG
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18+,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?/m1/s1
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n/an/a>4.00E+6n/an/an/an/an/an/a



Revotar Biopharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human L-selectin after 2 hrs

J Med Chem 50: 1101-15 (2007)


Article DOI: 10.1021/jm060536g
BindingDB Entry DOI: 10.7270/Q2TB17Q6
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)		BDBM50288934
PNG
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18+,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?/m1/s1
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n/an/a 1.50E+7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PSGL-1 by surface plasmon resonance assay

J Med Chem 53: 6003-17 (2010)


Article DOI: 10.1021/jm9013696
BindingDB Entry DOI: 10.7270/Q2R211M0
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Homo sapiens)		BDBM50056133
PNG
(5-Acetylamino-2-(3,5-dihydroxy-2-hydroxymethyl-6-N...)
Show SMILES CC1OC(OC2C(NC(C)=O)[C@@H](O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18-,19?,20?,21?,22?,23?,24?,25?,26?,27+,28?,29?,31?/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Selectin L expressed in endothelial cells

J Med Chem 40: 362-9 (1997)


Article DOI: 10.1021/jm9606103
BindingDB Entry DOI: 10.7270/Q2QV3KM0
More data for this
Ligand-Target Pair