Found 7 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 |
|---|
P-selectin
(Homo sapiens (Human)) | BDBM50324667
(1,6-bis[3-(3-carboxymethylphenyl)-4-(2-R-D-mannopy...)Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C46H54O16/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41+,42+,43+,44+,45+,46+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201984
(2-(4-chloro-benzyl)-3-hydroxy-7,8,9,10-tetrahydro-...)Show SMILES OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3CCCCc3ccc12 Show InChI InChI=1S/C21H18ClNO3/c22-14-8-5-12(6-9-14)11-17-20(24)18(21(25)26)16-10-7-13-3-1-2-4-15(13)19(16)23-17/h5-10,24H,1-4,11H2,(H,25,26) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50324665
(3-Hydroxy-2-(1-phenylethyl)-7,8,9,10-tetrahydroben...)Show InChI InChI=1S/C22H21NO3/c1-13(14-7-3-2-4-8-14)19-21(24)18(22(25)26)17-12-11-15-9-5-6-10-16(15)20(17)23-19/h2-4,7-8,11-13,24H,5-6,9-10H2,1H3,(H,25,26) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.75E+5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50324664
(3-Hydroxy-2-(1-phenylcyclopropyl)-7,8,9,10-tetrahy...)Show SMILES OC(=O)c1c(O)c(nc2c3CCCCc3ccc12)C1(CC1)c1ccccc1 Show InChI InChI=1S/C23H21NO3/c25-20-18(22(26)27)17-11-10-14-6-4-5-9-16(14)19(17)24-21(20)23(12-13-23)15-7-2-1-3-8-15/h1-3,7-8,10-11,25H,4-6,9,12-13H2,(H,26,27) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201977
(2-benzyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]quin...)Show InChI InChI=1S/C21H19NO3/c23-20-17(12-13-6-2-1-3-7-13)22-19-15-9-5-4-8-14(15)10-11-16(19)18(20)21(24)25/h1-3,6-7,10-11,23H,4-5,8-9,12H2,(H,24,25) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.13E+5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50288934
(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 | 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 | 3.40E+6 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50288934
(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 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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