Found 637 hits with Last Name = 'okasinski' and Initial = 'gf' 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 |
|---|
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107174
(1-{3-[4-(2-Methoxy-phenylsulfanyl)-2,3-bis-trifluo...)Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(c1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H21F6NO4S/c1-35-16-4-2-3-5-17(16)36-18-8-6-14(20(23(25,26)27)21(18)24(28,29)30)7-9-19(32)31-12-10-15(11-13-31)22(33)34/h2-9,15H,10-13H2,1H3,(H,33,34)/b9-7+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(2-8) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107168
(1-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfanyl...)Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(c1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H21F6NO5S/c26-24(27,28)21-14(2-6-20(33)32-9-7-15(8-10-32)23(34)35)1-5-19(22(21)25(29,30)31)38-16-3-4-17-18(13-16)37-12-11-36-17/h1-6,13,15H,7-12H2,(H,34,35)/b6-2+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(0.03-0.5) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50105186
(4-(4-Trifluoromethyl-phenoxy)-thieno[2,3-c]pyridin...)Show InChI InChI=1S/C16H11F3N2O2S/c1-20-15(22)13-6-11-12(7-21-8-14(11)24-13)23-10-4-2-9(3-5-10)16(17,18)19/h2-8H,1H3,(H,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of selectin E in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50105151
(4-(4-Vinyl-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)Show InChI InChI=1S/C16H12N2O2S/c1-2-10-3-5-11(6-4-10)20-13-8-18-9-15-12(13)7-14(21-15)16(17)19/h2-9H,1H2,(H2,17,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of selectin E in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105186
(4-(4-Trifluoromethyl-phenoxy)-thieno[2,3-c]pyridin...)Show InChI InChI=1S/C16H11F3N2O2S/c1-20-15(22)13-6-11-12(7-21-8-14(11)24-13)23-10-4-2-9(3-5-10)16(17,18)19/h2-8H,1H3,(H,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105227
(4-[4-(Tetrahydro-pyran-2-yloxymethyl)-phenoxy]-thi...)Show InChI InChI=1S/C20H20N2O4S/c21-20(23)17-9-15-16(10-22-11-18(15)27-17)26-14-6-4-13(5-7-14)12-25-19-3-1-2-8-24-19/h4-7,9-11,19H,1-3,8,12H2,(H2,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50105227
(4-[4-(Tetrahydro-pyran-2-yloxymethyl)-phenoxy]-thi...)Show InChI InChI=1S/C20H20N2O4S/c21-20(23)17-9-15-16(10-22-11-18(15)27-17)26-14-6-4-13(5-7-14)12-25-19-3-1-2-8-24-19/h4-7,9-11,19H,1-3,8,12H2,(H2,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of selectin E in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107166
(1-{3-[3-Chloro-4-(2,3-dihydro-benzo[1,4]dioxin-6-y...)Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1C(F)(F)F Show InChI InChI=1S/C24H21ClF3NO5S/c25-22-19(35-16-3-4-17-18(13-16)34-12-11-33-17)5-1-14(21(22)24(26,27)28)2-6-20(30)29-9-7-15(8-10-29)23(31)32/h1-6,13,15H,7-12H2,(H,31,32)/b6-2+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (2-2) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105151
(4-(4-Vinyl-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)Show InChI InChI=1S/C16H12N2O2S/c1-2-10-3-5-11(6-4-10)20-13-8-18-9-15-12(13)7-14(21-15)16(17)19/h2-9H,1H2,(H2,17,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105215
(4-(4-Cyano-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)Show InChI InChI=1S/C15H9N3O2S/c16-6-9-1-3-10(4-2-9)20-12-7-18-8-14-11(12)5-13(21-14)15(17)19/h1-5,7-8H,(H2,17,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50105201
(4-(4-Imidazol-1-yl-phenoxy)-thieno[2,3-c]pyridine-...)Show InChI InChI=1S/C18H14N4O2S/c1-19-18(23)16-8-14-15(9-21-10-17(14)25-16)24-13-4-2-12(3-5-13)22-7-6-20-11-22/h2-11H,1H3,(H,19,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of selectin E in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105156
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)Show InChI InChI=1S/C21H24N2O5S/c1-22-21(24)19-11-17-18(12-23-13-20(17)29-19)28-16-5-3-15(4-6-16)14-27-10-9-26-8-7-25-2/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency compared to IL-1beta induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay) |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50105155
(4-(4-Cyano-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)C(=O)CC(C)(O)c3ccc(Oc4cncc5sc(cc45)C(=O)NC)cc3)cncc2s1 Show InChI InChI=1S/C34H28N4O6S2/c1-34(42,20-6-10-22(11-7-20)44-27-16-38-18-31-24(27)13-29(46-31)33(41)36-3)14-25(39)19-4-8-21(9-5-19)43-26-15-37-17-30-23(26)12-28(45-30)32(40)35-2/h4-13,15-18,42H,14H2,1-3H3,(H,35,40)(H,36,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of selectin E in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50105215
(4-(4-Cyano-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)Show InChI InChI=1S/C15H9N3O2S/c16-6-9-1-3-10(4-2-9)20-12-7-18-8-14-11(12)5-13(21-14)15(17)19/h1-5,7-8H,(H2,17,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of selectin E in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105162
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency compared to TNF-alpha induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay) |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50107168
(1-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfanyl...)Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(c1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H21F6NO5S/c26-24(27,28)21-14(2-6-20(33)32-9-7-15(8-10-32)23(34)35)1-5-19(22(21)25(29,30)31)38-16-3-4-17-18(13-16)37-12-11-36-17/h1-6,13,15H,7-12H2,(H,34,35)/b6-2+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(3-6) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105162
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency compared to IL-1beta induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay) |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105155
(4-(4-Cyano-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)C(=O)CC(C)(O)c3ccc(Oc4cncc5sc(cc45)C(=O)NC)cc3)cncc2s1 Show InChI InChI=1S/C34H28N4O6S2/c1-34(42,20-6-10-22(11-7-20)44-27-16-38-18-31-24(27)13-29(46-31)33(41)36-3)14-25(39)19-4-8-21(9-5-19)43-26-15-37-17-30-23(26)12-28(45-30)32(40)35-2/h4-13,15-18,42H,14H2,1-3H3,(H,35,40)(H,36,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107176
(1-{3-[2,3-Dichloro-4-(1-methyl-1H-indol-5-ylsulfan...)Show SMILES Cn1ccc2cc(Sc3ccc(\C=C\C(=O)N4CCC(CC4)C(O)=O)c(Cl)c3Cl)ccc12 Show InChI InChI=1S/C24H22Cl2N2O3S/c1-27-11-8-17-14-18(4-5-19(17)27)32-20-6-2-15(22(25)23(20)26)3-7-21(29)28-12-9-16(10-13-28)24(30)31/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,30,31)/b7-3+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (1-10) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107173
(1-{3-[3-Chloro-4-(2-methoxy-phenylsulfanyl)-2-trif...)Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(c1Cl)C(F)(F)F Show InChI InChI=1S/C23H21ClF3NO4S/c1-32-16-4-2-3-5-17(16)33-18-8-6-14(20(21(18)24)23(25,26)27)7-9-19(29)28-12-10-15(11-13-28)22(30)31/h2-9,15H,10-13H2,1H3,(H,30,31)/b9-7+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (2-9) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50105162
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency compared to TNF-alpha induced Selectin E expression in human endothelial cells (ELISA assay) |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50105156
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)Show InChI InChI=1S/C21H24N2O5S/c1-22-21(24)19-11-17-18(12-23-13-20(17)29-19)28-16-5-3-15(4-6-16)14-27-10-9-26-8-7-25-2/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency compared to TNF-alpha induced Selectin E in human endothelial cells (ELISA assay) |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105196
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)Show InChI InChI=1S/C20H22N2O5S/c1-24-6-7-25-8-9-26-13-14-2-4-15(5-3-14)27-17-11-22-12-19-16(17)10-18(28-19)20(21)23/h2-5,10-12H,6-9,13H2,1H3,(H2,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50105162
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of selectin E in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105178
(4-(4-Iodo-phenoxy)-thieno[2,3-c]pyridine-2-carboxy...)Show InChI InChI=1S/C14H9IN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50105195
(4-(4-Pyrazol-1-yl-phenoxy)-thieno[2,3-c]pyridine-2...)Show InChI InChI=1S/C18H14N4O2S/c1-19-18(23)16-9-14-15(10-20-11-17(14)25-16)24-13-5-3-12(4-6-13)22-8-2-7-21-22/h2-11H,1H3,(H,19,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of selectin E in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105195
(4-(4-Pyrazol-1-yl-phenoxy)-thieno[2,3-c]pyridine-2...)Show InChI InChI=1S/C18H14N4O2S/c1-19-18(23)16-9-14-15(10-20-11-17(14)25-16)24-13-5-3-12(4-6-13)22-8-2-7-21-22/h2-11H,1H3,(H,19,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50107169
(1-{3-[4-(1-Methyl-1H-indol-5-ylsulfanyl)-2,3-bis-t...)Show SMILES Cn1ccc2cc(Sc3ccc(\C=C\C(=O)N4CCC(CC4)C(O)=O)c(c3C(F)(F)F)C(F)(F)F)ccc12 Show InChI InChI=1S/C26H22F6N2O3S/c1-33-11-8-17-14-18(4-5-19(17)33)38-20-6-2-15(22(25(27,28)29)23(20)26(30,31)32)3-7-21(35)34-12-9-16(10-13-34)24(36)37/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,36,37)/b7-3+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(5-5) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105156
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)Show InChI InChI=1S/C21H24N2O5S/c1-22-21(24)19-11-17-18(12-23-13-20(17)29-19)28-16-5-3-15(4-6-16)14-27-10-9-26-8-7-25-2/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency compared to TNF-alpha induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay) |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105183
(4-(4-Furan-2-yl-phenoxy)-thieno[2,3-c]pyridine-2-c...)Show InChI InChI=1S/C19H14N2O3S/c1-20-19(22)17-9-14-16(10-21-11-18(14)25-17)24-13-6-4-12(5-7-13)15-3-2-8-23-15/h2-11H,1H3,(H,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50098480
(4-(4-Bromo-phenylsulfanyl)-thieno[2,3-c]pyridine-2...)Show InChI InChI=1S/C14H9BrN2OS2/c15-8-1-3-9(4-2-8)19-12-6-17-7-13-10(12)5-11(20-13)14(16)18/h1-7H,(H2,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay |
J Med Chem 44: 988-1002 (2001)
BindingDB Entry DOI: 10.7270/Q2CF9PC4 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107162
(3-[3-Chloro-4-(2-methoxy-phenylsulfanyl)-2-trifluo...)Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(c1Cl)C(F)(F)F Show InChI InChI=1S/C21H19ClF3NO3S/c1-28-15-4-2-3-5-16(15)30-17-8-6-14(19(20(17)22)21(23,24)25)7-9-18(27)26-10-12-29-13-11-26/h2-9H,10-13H2,1H3/b9-7+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (3-10) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50107166
(1-{3-[3-Chloro-4-(2,3-dihydro-benzo[1,4]dioxin-6-y...)Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1C(F)(F)F Show InChI InChI=1S/C24H21ClF3NO5S/c25-22-19(35-16-3-4-17-18(13-16)34-12-11-33-17)5-1-14(21(22)24(26,27)28)2-6-20(30)29-9-7-15(8-10-29)23(31)32/h1-6,13,15H,7-12H2,(H,31,32)/b6-2+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (4-7) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107169
(1-{3-[4-(1-Methyl-1H-indol-5-ylsulfanyl)-2,3-bis-t...)Show SMILES Cn1ccc2cc(Sc3ccc(\C=C\C(=O)N4CCC(CC4)C(O)=O)c(c3C(F)(F)F)C(F)(F)F)ccc12 Show InChI InChI=1S/C26H22F6N2O3S/c1-33-11-8-17-14-18(4-5-19(17)33)38-20-6-2-15(22(25(27,28)29)23(20)26(30,31)32)3-7-21(35)34-12-9-16(10-13-34)24(36)37/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,36,37)/b7-3+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(3-10) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50105196
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)Show InChI InChI=1S/C20H22N2O5S/c1-24-6-7-25-8-9-26-13-14-2-4-15(5-3-14)27-17-11-22-12-19-16(17)10-18(28-19)20(21)23/h2-5,10-12H,6-9,13H2,1H3,(H2,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of selectin E in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105205
(4-(4-Imidazol-1-yl-phenoxy)-thieno[2,3-c]pyridine-...)Show InChI InChI=1S/C17H12N4O2S/c18-17(22)15-7-13-14(8-20-9-16(13)24-15)23-12-3-1-11(2-4-12)21-6-5-19-10-21/h1-10H,(H2,18,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Vascular cell adhesion protein 1
(Homo sapiens (Human)) | BDBM50105195
(4-(4-Pyrazol-1-yl-phenoxy)-thieno[2,3-c]pyridine-2...)Show InChI InChI=1S/C18H14N4O2S/c1-19-18(23)16-9-14-15(10-20-11-17(14)25-16)24-13-5-3-12(4-6-13)22-8-2-7-21-22/h2-11H,1H3,(H,19,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of VCAM-1 in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50105172
(4-[4-(2-Methoxy-ethoxymethyl)-phenoxy]-thieno[2,3-...)Show InChI InChI=1S/C18H18N2O4S/c1-22-6-7-23-11-12-2-4-13(5-3-12)24-15-9-20-10-17-14(15)8-16(25-17)18(19)21/h2-5,8-10H,6-7,11H2,1H3,(H2,19,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of selectin E in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50105156
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)Show InChI InChI=1S/C21H24N2O5S/c1-22-21(24)19-11-17-18(12-23-13-20(17)29-19)28-16-5-3-15(4-6-16)14-27-10-9-26-8-7-25-2/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency compared to IL-1beta induced Selectin E in human endothelial cells (ELISA assay) |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105162
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50105183
(4-(4-Furan-2-yl-phenoxy)-thieno[2,3-c]pyridine-2-c...)Show InChI InChI=1S/C19H14N2O3S/c1-20-19(22)17-9-14-16(10-21-11-18(14)25-17)24-13-6-4-12(5-7-13)15-3-2-8-23-15/h2-11H,1H3,(H,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of selectin E in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105156
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)Show InChI InChI=1S/C21H24N2O5S/c1-22-21(24)19-11-17-18(12-23-13-20(17)29-19)28-16-5-3-15(4-6-16)14-27-10-9-26-8-7-25-2/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency compared to PMA induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay) |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50105164
(4-(4-Thiophen-2-yl-phenoxy)-thieno[2,3-c]pyridine-...)Show InChI InChI=1S/C19H14N2O2S2/c1-20-19(22)17-9-14-15(10-21-11-18(14)25-17)23-13-6-4-12(5-7-13)16-3-2-8-24-16/h2-11H,1H3,(H,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of selectin E in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105180
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)Show InChI InChI=1S/C15H11BrN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50105156
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)Show InChI InChI=1S/C21H24N2O5S/c1-22-21(24)19-11-17-18(12-23-13-20(17)29-19)28-16-5-3-15(4-6-16)14-27-10-9-26-8-7-25-2/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50107174
(1-{3-[4-(2-Methoxy-phenylsulfanyl)-2,3-bis-trifluo...)Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(c1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H21F6NO4S/c1-35-16-4-2-3-5-17(16)36-18-8-6-14(20(23(25,26)27)21(18)24(28,29)30)7-9-19(32)31-12-10-15(11-13-31)22(33)34/h2-9,15H,10-13H2,1H3,(H,33,34)/b9-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(4-6) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107164
(3-[2,3-Dichloro-4-(2-methoxy-phenylsulfanyl)-pheny...)Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(Cl)c1Cl Show InChI InChI=1S/C20H19Cl2NO3S/c1-25-15-4-2-3-5-16(15)27-17-8-6-14(19(21)20(17)22)7-9-18(24)23-10-12-26-13-11-23/h2-9H,10-13H2,1H3/b9-7+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1 |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50105181
(4-(4-Chloro-phenoxy)-thieno[2,3-c]pyridine-2-carbo...)Show InChI InChI=1S/C14H9ClN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of selectin E in human endothelial cells |
J Med Chem 44: 3469-87 (2001)
BindingDB Entry DOI: 10.7270/Q2KW5FBM |
More data for this
Ligand-Target Pair | |
Integrin alpha-L
(Homo sapiens (Human)) | BDBM50107176
(1-{3-[2,3-Dichloro-4-(1-methyl-1H-indol-5-ylsulfan...)Show SMILES Cn1ccc2cc(Sc3ccc(\C=C\C(=O)N4CCC(CC4)C(O)=O)c(Cl)c3Cl)ccc12 Show InChI InChI=1S/C24H22Cl2N2O3S/c1-27-11-8-17-14-18(4-5-19(17)27)32-20-6-2-15(22(25)23(20)26)3-7-21(29)28-12-9-16(10-13-28)24(30)31/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,30,31)/b7-3+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (6-6) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50107181
(1-{3-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)-...)Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C24H25Cl2NO3S/c1-15(2)18-5-3-4-6-19(18)31-20-9-7-16(22(25)23(20)26)8-10-21(28)27-13-11-17(12-14-27)24(29)30/h3-10,15,17H,11-14H2,1-2H3,(H,29,30)/b10-8+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (3-18) |
J Med Chem 44: 4393-403 (2001)
BindingDB Entry DOI: 10.7270/Q2WW7GZN |
More data for this
Ligand-Target Pair | |
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