Found 16 hits of Enzyme Inhibition Constant Data 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 |
|---|
E-selectin
(Homo sapiens (Human)) | BDBM50168310
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50168310
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50168307
(3-Methyl-2-[((3R,5R)-1,3,5-trihydroxy-4-(S)-hydrox...)Show SMILES CCC(C)[C@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)C(O)=O |wU:8.8,13.13,15.15,wD:8.7,4.4,11.11,(-2.14,2.27,;-.81,3.04,;.52,2.27,;1.85,3.04,;.52,.74,;1.85,-.03,;3.17,.74,;3.17,2.27,;4.52,-.03,;5.85,.74,;3.19,-.8,;3.19,-2.35,;1.85,-3.13,;4.52,-3.12,;4.52,-4.66,;5.85,-2.35,;7.19,-3.13,;5.85,-.8,;-.81,-.03,;-2.14,.74,;-.81,-1.58,)| Show InChI InChI=1S/C13H23NO7/c1-3-6(2)9(11(18)19)14-12(20)13(21)4-7(15)10(17)8(16)5-13/h6-10,15-17,21H,3-5H2,1-2H3,(H,14,20)(H,18,19)/t6?,7-,8-,9+,10-,13+/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
PubMed
| n/a | n/a | 1.90E+7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50168303
(3-Hydroxy-2-[((3R,5R)-1,3,5-trihydroxy-4-(S)-hydro...)Show SMILES OC[C@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)C(O)=O |wU:6.6,11.11,13.13,wD:6.5,2.2,9.9,(1.73,1.74,;.4,.97,;.4,-.57,;1.73,-1.34,;3.06,-.57,;3.06,.97,;4.39,-1.34,;5.74,-.57,;3.06,-2.11,;3.06,-3.66,;1.73,-4.44,;4.39,-4.43,;4.39,-5.97,;5.74,-3.66,;7.08,-4.44,;5.74,-2.11,;-.93,-1.34,;-2.28,-.57,;-.93,-2.89,)| Show InChI InChI=1S/C10H17NO8/c12-3-4(8(16)17)11-9(18)10(19)1-5(13)7(15)6(14)2-10/h4-7,12-15,19H,1-3H2,(H,11,18)(H,16,17)/t4-,5+,6+,7-,10+/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
PubMed
| n/a | n/a | 1.95E+7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50168306
((S)-2-[((3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexaneca...)Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |wU:13.13,3.3,8.9,6.6,wD:3.10,1.0,(2.22,-3.74,;3.55,-2.96,;3.55,-1.41,;4.88,-.64,;6.23,.13,;6.23,-1.41,;6.23,-2.96,;7.57,-3.74,;4.88,-3.73,;4.88,-5.27,;3.55,.13,;3.55,1.67,;2.22,-.64,;.89,.13,;-.44,-.64,;-1.79,.13,;-3.12,-.64,;-4.46,.13,;-3.12,-2.19,;.89,1.67,;-.46,2.44,;2.22,2.44,)| Show InChI InChI=1S/C12H19NO9/c14-6-3-12(22,4-7(15)9(6)18)11(21)13-5(10(19)20)1-2-8(16)17/h5-7,9,14-15,18,22H,1-4H2,(H,13,21)(H,16,17)(H,19,20)/t5-,6+,7+,9-,12+/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
PubMed
| n/a | n/a | 2.10E+7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50168305
(4-[((3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbon...)Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCCCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(-1.18,-2.07,;.15,-1.28,;.15,.26,;1.47,1.02,;2.81,1.79,;2.81,.26,;2.81,-1.28,;4.14,-2.07,;1.47,-2.05,;1.47,-3.58,;.15,1.79,;.15,3.32,;-1.18,1.02,;-2.51,1.79,;-3.85,1.02,;-5.17,1.79,;-6.5,1.02,;-7.84,1.79,;-6.5,-.52,)| Show InChI InChI=1S/C11H19NO7/c13-6-4-11(19,5-7(14)9(6)17)10(18)12-3-1-2-8(15)16/h6-7,9,13-14,17,19H,1-5H2,(H,12,18)(H,15,16)/t6-,7-,9-,11+/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
PubMed
| n/a | n/a | 4.00E+7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50168303
(3-Hydroxy-2-[((3R,5R)-1,3,5-trihydroxy-4-(S)-hydro...)Show SMILES OC[C@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)C(O)=O |wU:6.6,11.11,13.13,wD:6.5,2.2,9.9,(1.73,1.74,;.4,.97,;.4,-.57,;1.73,-1.34,;3.06,-.57,;3.06,.97,;4.39,-1.34,;5.74,-.57,;3.06,-2.11,;3.06,-3.66,;1.73,-4.44,;4.39,-4.43,;4.39,-5.97,;5.74,-3.66,;7.08,-4.44,;5.74,-2.11,;-.93,-1.34,;-2.28,-.57,;-.93,-2.89,)| Show InChI InChI=1S/C10H17NO8/c12-3-4(8(16)17)11-9(18)10(19)1-5(13)7(15)6(14)2-10/h4-7,12-15,19H,1-3H2,(H,11,18)(H,16,17)/t4-,5+,6+,7-,10+/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
PubMed
| n/a | n/a | >5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50168309
(6-[((R)-(R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbon...)Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCCCCCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(4.45,-3.24,;5.8,-2.45,;5.8,-.91,;7.12,-.14,;8.46,.63,;8.46,-.91,;8.46,-2.45,;9.8,-3.24,;7.12,-3.22,;7.12,-4.76,;5.78,.63,;5.78,2.16,;4.45,-.14,;3.13,.63,;1.79,-.14,;.45,.63,;-.88,-.14,;-2.2,.63,;-3.53,-.14,;-4.87,.63,;-3.53,-1.68,)| Show InChI InChI=1S/C13H23NO7/c15-8-6-13(21,7-9(16)11(8)19)12(20)14-5-3-1-2-4-10(17)18/h8-9,11,15-16,19,21H,1-7H2,(H,14,20)(H,17,18)/t8-,9-,11-,13+/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
PubMed
| n/a | n/a | >5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50168304
(2-[((3R,5R)-1,3,5-Trihydroxy-4-(S)-hydroxy-cyclohe...)Show SMILES C[C@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)C(O)=O |wU:5.5,10.10,12.12,wD:5.4,8.8,1.0,(-2.28,2.47,;-2.28,.93,;-.94,.16,;.4,.93,;.4,2.47,;1.74,.16,;3.07,.93,;.41,-.62,;.41,-2.17,;-.95,-2.95,;1.74,-2.95,;1.74,-4.49,;3.07,-2.17,;4.43,-2.95,;3.07,-.62,;-3.62,.16,;-4.95,.93,;-3.62,-1.4,)| Show InChI InChI=1S/C10H17NO7/c1-4(8(15)16)11-9(17)10(18)2-5(12)7(14)6(13)3-10/h4-7,12-14,18H,2-3H2,1H3,(H,11,17)(H,15,16)/t4-,5+,6+,7-,10+/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
PubMed
| n/a | n/a | >5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50168305
(4-[((3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbon...)Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCCCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(-1.18,-2.07,;.15,-1.28,;.15,.26,;1.47,1.02,;2.81,1.79,;2.81,.26,;2.81,-1.28,;4.14,-2.07,;1.47,-2.05,;1.47,-3.58,;.15,1.79,;.15,3.32,;-1.18,1.02,;-2.51,1.79,;-3.85,1.02,;-5.17,1.79,;-6.5,1.02,;-7.84,1.79,;-6.5,-.52,)| Show InChI InChI=1S/C11H19NO7/c13-6-4-11(19,5-7(14)9(6)17)10(18)12-3-1-2-8(15)16/h6-7,9,13-14,17,19H,1-5H2,(H,12,18)(H,15,16)/t6-,7-,9-,11+/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
PubMed
| n/a | n/a | >5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50168309
(6-[((R)-(R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbon...)Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCCCCCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(4.45,-3.24,;5.8,-2.45,;5.8,-.91,;7.12,-.14,;8.46,.63,;8.46,-.91,;8.46,-2.45,;9.8,-3.24,;7.12,-3.22,;7.12,-4.76,;5.78,.63,;5.78,2.16,;4.45,-.14,;3.13,.63,;1.79,-.14,;.45,.63,;-.88,-.14,;-2.2,.63,;-3.53,-.14,;-4.87,.63,;-3.53,-1.68,)| Show InChI InChI=1S/C13H23NO7/c15-8-6-13(21,7-9(16)11(8)19)12(20)14-5-3-1-2-4-10(17)18/h8-9,11,15-16,19,21H,1-7H2,(H,14,20)(H,17,18)/t8-,9-,11-,13+/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
PubMed
| n/a | n/a | >5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50168307
(3-Methyl-2-[((3R,5R)-1,3,5-trihydroxy-4-(S)-hydrox...)Show SMILES CCC(C)[C@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)C(O)=O |wU:8.8,13.13,15.15,wD:8.7,4.4,11.11,(-2.14,2.27,;-.81,3.04,;.52,2.27,;1.85,3.04,;.52,.74,;1.85,-.03,;3.17,.74,;3.17,2.27,;4.52,-.03,;5.85,.74,;3.19,-.8,;3.19,-2.35,;1.85,-3.13,;4.52,-3.12,;4.52,-4.66,;5.85,-2.35,;7.19,-3.13,;5.85,-.8,;-.81,-.03,;-2.14,.74,;-.81,-1.58,)| Show InChI InChI=1S/C13H23NO7/c1-3-6(2)9(11(18)19)14-12(20)13(21)4-7(15)10(17)8(16)5-13/h6-10,15-17,21H,3-5H2,1-2H3,(H,14,20)(H,18,19)/t6?,7-,8-,9+,10-,13+/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
PubMed
| n/a | n/a | >5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50168304
(2-[((3R,5R)-1,3,5-Trihydroxy-4-(S)-hydroxy-cyclohe...)Show SMILES C[C@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)C(O)=O |wU:5.5,10.10,12.12,wD:5.4,8.8,1.0,(-2.28,2.47,;-2.28,.93,;-.94,.16,;.4,.93,;.4,2.47,;1.74,.16,;3.07,.93,;.41,-.62,;.41,-2.17,;-.95,-2.95,;1.74,-2.95,;1.74,-4.49,;3.07,-2.17,;4.43,-2.95,;3.07,-.62,;-3.62,.16,;-4.95,.93,;-3.62,-1.4,)| Show InChI InChI=1S/C10H17NO7/c1-4(8(15)16)11-9(17)10(18)2-5(12)7(14)6(13)3-10/h4-7,12-14,18H,2-3H2,1H3,(H,11,17)(H,15,16)/t4-,5+,6+,7-,10+/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
PubMed
| n/a | n/a | >5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50168308
(((3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbonyl)...)Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(7.16,-4.84,;8.52,-4.05,;8.52,-2.5,;9.85,-1.73,;11.18,-.96,;11.18,-2.5,;11.18,-4.05,;12.54,-4.84,;9.85,-4.82,;9.85,-6.36,;8.5,-.96,;8.5,.6,;7.16,-1.73,;5.83,-.96,;4.5,-1.71,;3.16,-.94,;4.5,-3.26,)| Show InChI InChI=1S/C9H15NO7/c11-4-1-9(17,2-5(12)7(4)15)8(16)10-3-6(13)14/h4-5,7,11-12,15,17H,1-3H2,(H,10,16)(H,13,14)/t4-,5-,7-,9+/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
PubMed
| n/a | n/a | >5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50168306
((S)-2-[((3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexaneca...)Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |wU:13.13,3.3,8.9,6.6,wD:3.10,1.0,(2.22,-3.74,;3.55,-2.96,;3.55,-1.41,;4.88,-.64,;6.23,.13,;6.23,-1.41,;6.23,-2.96,;7.57,-3.74,;4.88,-3.73,;4.88,-5.27,;3.55,.13,;3.55,1.67,;2.22,-.64,;.89,.13,;-.44,-.64,;-1.79,.13,;-3.12,-.64,;-4.46,.13,;-3.12,-2.19,;.89,1.67,;-.46,2.44,;2.22,2.44,)| Show InChI InChI=1S/C12H19NO9/c14-6-3-12(22,4-7(15)9(6)18)11(21)13-5(10(19)20)1-2-8(16)17/h5-7,9,14-15,18,22H,1-4H2,(H,13,21)(H,16,17)(H,19,20)/t5-,6+,7+,9-,12+/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
PubMed
| n/a | n/a | >5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50168308
(((3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbonyl)...)Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(7.16,-4.84,;8.52,-4.05,;8.52,-2.5,;9.85,-1.73,;11.18,-.96,;11.18,-2.5,;11.18,-4.05,;12.54,-4.84,;9.85,-4.82,;9.85,-6.36,;8.5,-.96,;8.5,.6,;7.16,-1.73,;5.83,-.96,;4.5,-1.71,;3.16,-.94,;4.5,-3.26,)| Show InChI InChI=1S/C9H15NO7/c11-4-1-9(17,2-5(12)7(4)15)8(16)10-3-6(13)14/h4-5,7,11-12,15,17H,1-3H2,(H,10,16)(H,13,14)/t4-,5-,7-,9+/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
PubMed
| n/a | n/a | >5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Search and Browse
