Found 87 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 |
|---|
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185450
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H28N4O5/c1-29-23(32-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)34-15-33-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185464
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(5,6,7,8-tetr...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H25N3O6/c28-23(29)12-17(16-4-6-20-21(11-16)32-14-31-20)10-19-13-22(27-33-19)30-9-7-18-5-3-15-2-1-8-25-24(15)26-18/h3-6,11,13,17H,1-2,7-10,12,14H2,(H,25,26)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185466
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-...)Show SMILES Cn1nc(C[C@@H](CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H28N4O5/c1-29-23(32-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)34-15-33-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185459
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(4,5-dihydro-...)Show SMILES [#8]-[#6](=O)-[#6]-[#6](-[#6]-c1cc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)no1)-c1ccc2-[#8]-[#6]-[#8]-c2c1 Show InChI InChI=1S/C20H24N4O6/c25-19(26)10-14(13-2-3-16-17(9-13)29-12-28-16)8-15-11-18(24-30-15)27-7-1-4-21-20-22-5-6-23-20/h2-3,9,11,14H,1,4-8,10,12H2,(H,25,26)(H2,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185460
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-(carboxymethyl)-...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(O)=O)n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H28N4O7/c31-24(32)12-18(17-4-6-21-22(11-17)37-15-36-21)10-20-13-23(30(29-20)14-25(33)34)35-9-7-19-5-3-16-2-1-8-27-26(16)28-19/h3-6,11,13,18H,1-2,7-10,12,14-15H2,(H,27,28)(H,31,32)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185469
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(1-methyl-1,2...)Show SMILES CN1CCNc2nc(CCOc3cc(CC(CC(O)=O)c4ccc5OCOc5c4)on3)ccc12 Show InChI InChI=1S/C24H26N4O6/c1-28-8-7-25-24-19(28)4-3-17(26-24)6-9-31-22-13-18(34-27-22)10-16(12-23(29)30)15-2-5-20-21(11-15)33-14-32-20/h2-5,11,13,16H,6-10,12,14H2,1H3,(H,25,26)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185452
(3-(benzo[d][1,3]dioxol-5-yl)-4-(5-(2-(5,6,7,8-tetr...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n[nH]1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H26N4O5/c29-23(30)12-17(16-4-6-20-21(11-16)33-14-32-20)10-19-13-22(28-27-19)31-9-7-18-5-3-15-2-1-8-25-24(15)26-18/h3-6,11,13,17H,1-2,7-10,12,14H2,(H,25,26)(H,27,28)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185468
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(1-m...)Show SMILES CN1CCNc2nc(CCOc3cc(CC(CC(O)=O)c4ccc5OCOc5c4)nn3C)ccc12 Show InChI InChI=1S/C25H29N5O5/c1-29-9-8-26-25-20(29)5-4-18(27-25)7-10-33-23-14-19(28-30(23)2)11-17(13-24(31)32)16-3-6-21-22(12-16)35-15-34-21/h3-6,12,14,17H,7-11,13,15H2,1-2H3,(H,26,27)(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50185450
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H28N4O5/c1-29-23(32-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)34-15-33-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta5 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185455
(3-(6-methoxypyridin-3-yl)-4-(1-methyl-5-(2-(5,6,7,...)Show SMILES COc1ccc(cn1)C(CC(O)=O)Cc1cc(OCCc2ccc3CCCNc3n2)n(C)n1 Show InChI InChI=1S/C24H29N5O4/c1-29-22(33-11-9-19-7-5-16-4-3-10-25-24(16)27-19)14-20(28-29)12-18(13-23(30)31)17-6-8-21(32-2)26-15-17/h5-8,14-15,18H,3-4,9-13H2,1-2H3,(H,25,27)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185462
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1SCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H28N4O4S/c1-29-23(34-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)33-15-32-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185465
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(1,2...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2NCCNc2n1 Show InChI InChI=1S/C24H27N5O5/c1-29-22(32-9-6-17-3-4-19-24(27-17)26-8-7-25-19)13-18(28-29)10-16(12-23(30)31)15-2-5-20-21(11-15)34-14-33-20/h2-5,11,13,16,25H,6-10,12,14H2,1H3,(H,26,27)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185453
(3-(2-(4-chlorophenyl)thiazol-5-yl)-4-(1-methyl-5-(...)Show SMILES Cn1nc(CC(CC(O)=O)c2cnc(s2)-c2ccc(Cl)cc2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C27H28ClN5O3S/c1-33-24(36-12-10-21-9-6-17-3-2-11-29-26(17)31-21)15-22(32-33)13-19(14-25(34)35)23-16-30-27(37-23)18-4-7-20(28)8-5-18/h4-9,15-16,19H,2-3,10-14H2,1H3,(H,29,31)(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185457
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-benzyl-5-(2-(5,6...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(Cc2ccccc2)n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H32N4O5/c36-30(37)17-24(23-9-11-27-28(16-23)40-20-39-27)15-26-18-29(35(34-26)19-21-5-2-1-3-6-21)38-14-12-25-10-8-22-7-4-13-32-31(22)33-25/h1-3,5-6,8-11,16,18,24H,4,7,12-15,17,19-20H2,(H,32,33)(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185454
(3-(6-methoxypyridin-3-yl)-4-(3-(2-(5,6,7,8-tetrahy...)Show SMILES COc1ccc(cn1)C(CC(O)=O)Cc1cc(OCCc2ccc3CCCNc3n2)no1 Show InChI InChI=1S/C23H26N4O5/c1-30-20-7-5-16(14-25-20)17(12-22(28)29)11-19-13-21(27-32-19)31-10-8-18-6-4-15-3-2-9-24-23(15)26-18/h4-7,13-14,17H,2-3,8-12H2,1H3,(H,24,26)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185459
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(4,5-dihydro-...)Show SMILES [#8]-[#6](=O)-[#6]-[#6](-[#6]-c1cc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)no1)-c1ccc2-[#8]-[#6]-[#8]-c2c1 Show InChI InChI=1S/C20H24N4O6/c25-19(26)10-14(13-2-3-16-17(9-13)29-12-28-16)8-15-11-18(24-30-15)27-7-1-4-21-20-22-5-6-23-20/h2-3,9,11,14H,1,4-8,10,12H2,(H,25,26)(H2,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185471
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-(2-hydroxyethyl)...)Show SMILES OCCn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C26H30N4O6/c31-10-9-30-24(34-11-7-20-5-3-17-2-1-8-27-26(17)28-20)15-21(29-30)12-19(14-25(32)33)18-4-6-22-23(13-18)36-16-35-22/h3-6,13,15,19,31H,1-2,7-12,14,16H2,(H,27,28)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185464
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(5,6,7,8-tetr...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H25N3O6/c28-23(29)12-17(16-4-6-20-21(11-16)32-14-31-20)10-19-13-22(27-33-19)30-9-7-18-5-3-15-2-1-8-25-24(15)26-18/h3-6,11,13,17H,1-2,7-10,12,14H2,(H,25,26)(H,28,29) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50185470
(3-(benzo[d][1,3]dioxol-5-yl)-4-(5-(2-(5,6,7,8-tetr...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(F)(F)F)n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H27F3N4O5/c27-26(28,29)14-33-23(36-9-7-19-5-3-16-2-1-8-30-25(16)31-19)13-20(32-33)10-18(12-24(34)35)17-4-6-21-22(11-17)38-15-37-21/h3-6,11,13,18H,1-2,7-10,12,14-15H2,(H,30,31)(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 1.03 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta5 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185470
(3-(benzo[d][1,3]dioxol-5-yl)-4-(5-(2-(5,6,7,8-tetr...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(F)(F)F)n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H27F3N4O5/c27-26(28,29)14-33-23(36-9-7-19-5-3-16-2-1-8-30-25(16)31-19)13-20(32-33)10-18(12-24(34)35)17-4-6-21-22(11-17)38-15-37-21/h3-6,11,13,18H,1-2,7-10,12,14-15H2,(H,30,31)(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC sid
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| n/a | n/a | 1.09 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185450
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H28N4O5/c1-29-23(32-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)34-15-33-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185472
(3-(2-(4-chlorophenyl)thiazol-5-yl)-4-(3-(2-(5,6,7,...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)no1)c1cnc(s1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H25ClN4O4S/c27-19-6-3-17(4-7-19)26-29-15-22(36-26)18(13-24(32)33)12-21-14-23(31-35-21)34-11-9-20-8-5-16-2-1-10-28-25(16)30-20/h3-8,14-15,18H,1-2,9-13H2,(H,28,30)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185463
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-phenyl-5-(2-(5,6...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(n1)-c1ccccc1)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H30N4O5/c35-29(36)17-22(21-9-11-26-27(16-21)39-19-38-26)15-24-18-28(34(33-24)25-6-2-1-3-7-25)37-14-12-23-10-8-20-5-4-13-31-30(20)32-23/h1-3,6-11,16,18,22H,4-5,12-15,17,19H2,(H,31,32)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185468
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(1-m...)Show SMILES CN1CCNc2nc(CCOc3cc(CC(CC(O)=O)c4ccc5OCOc5c4)nn3C)ccc12 Show InChI InChI=1S/C25H29N5O5/c1-29-9-8-26-25-20(29)5-4-18(27-25)7-10-33-23-14-19(28-30(23)2)11-17(13-24(31)32)16-3-6-21-22(12-16)35-15-34-21/h3-6,12,14,17H,7-11,13,15H2,1-2H3,(H,26,27)(H,31,32) | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50185464
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(5,6,7,8-tetr...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H25N3O6/c28-23(29)12-17(16-4-6-20-21(11-16)32-14-31-20)10-19-13-22(27-33-19)30-9-7-18-5-3-15-2-1-8-25-24(15)26-18/h3-6,11,13,17H,1-2,7-10,12,14H2,(H,25,26)(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta5 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185452
(3-(benzo[d][1,3]dioxol-5-yl)-4-(5-(2-(5,6,7,8-tetr...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n[nH]1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H26N4O5/c29-23(30)12-17(16-4-6-20-21(11-16)33-14-32-20)10-19-13-22(28-27-19)31-9-7-18-5-3-15-2-1-8-25-24(15)26-18/h3-6,11,13,17H,1-2,7-10,12,14H2,(H,25,26)(H,27,28)(H,29,30) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185469
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(1-methyl-1,2...)Show SMILES CN1CCNc2nc(CCOc3cc(CC(CC(O)=O)c4ccc5OCOc5c4)on3)ccc12 Show InChI InChI=1S/C24H26N4O6/c1-28-8-7-25-24-19(28)4-3-17(26-24)6-9-31-22-13-18(34-27-22)10-16(12-23(29)30)15-2-5-20-21(11-15)33-14-32-20/h2-5,11,13,16H,6-10,12,14H2,1H3,(H,25,26)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185467
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-butyl-5-(2-(5,6,...)Show SMILES CCCCn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C28H34N4O5/c1-2-3-12-32-26(35-13-10-22-8-6-19-5-4-11-29-28(19)30-22)17-23(31-32)14-21(16-27(33)34)20-7-9-24-25(15-20)37-18-36-24/h6-9,15,17,21H,2-5,10-14,16,18H2,1H3,(H,29,30)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185463
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-phenyl-5-(2-(5,6...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(n1)-c1ccccc1)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H30N4O5/c35-29(36)17-22(21-9-11-26-27(16-21)39-19-38-26)15-24-18-28(34(33-24)25-6-2-1-3-7-25)37-14-12-23-10-8-20-5-4-13-31-30(20)32-23/h1-3,6-11,16,18,22H,4-5,12-15,17,19H2,(H,31,32)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185453
(3-(2-(4-chlorophenyl)thiazol-5-yl)-4-(1-methyl-5-(...)Show SMILES Cn1nc(CC(CC(O)=O)c2cnc(s2)-c2ccc(Cl)cc2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C27H28ClN5O3S/c1-33-24(36-12-10-21-9-6-17-3-2-11-29-26(17)31-21)15-22(32-33)13-19(14-25(34)35)23-16-30-27(37-23)18-4-7-20(28)8-5-18/h4-9,15-16,19H,2-3,10-14H2,1H3,(H,29,31)(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50185469
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(1-methyl-1,2...)Show SMILES CN1CCNc2nc(CCOc3cc(CC(CC(O)=O)c4ccc5OCOc5c4)on3)ccc12 Show InChI InChI=1S/C24H26N4O6/c1-28-8-7-25-24-19(28)4-3-17(26-24)6-9-31-22-13-18(34-27-22)10-16(12-23(29)30)15-2-5-20-21(11-15)33-14-32-20/h2-5,11,13,16H,6-10,12,14H2,1H3,(H,25,26)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.47 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta5 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185470
(3-(benzo[d][1,3]dioxol-5-yl)-4-(5-(2-(5,6,7,8-tetr...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(F)(F)F)n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H27F3N4O5/c27-26(28,29)14-33-23(36-9-7-19-5-3-16-2-1-8-30-25(16)31-19)13-20(32-33)10-18(12-24(34)35)17-4-6-21-22(11-17)38-15-37-21/h3-6,11,13,18H,1-2,7-10,12,14-15H2,(H,30,31)(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185462
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1SCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H28N4O4S/c1-29-23(34-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)33-15-32-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185456
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1S(=O)(=O)CCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H28N4O6S/c1-29-23(36(32,33)10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)35-15-34-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.69 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185458
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(6-(...)Show SMILES CNc1cccc(CCOc2cc(CC(CC(O)=O)c3ccc4OCOc4c3)nn2C)n1 Show InChI InChI=1S/C23H26N4O5/c1-24-21-5-3-4-17(25-21)8-9-30-22-13-18(26-27(22)2)10-16(12-23(28)29)15-6-7-19-20(11-15)32-14-31-19/h3-7,11,13,16H,8-10,12,14H2,1-2H3,(H,24,25)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.77 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50185457
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-benzyl-5-(2-(5,6...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(Cc2ccccc2)n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H32N4O5/c36-30(37)17-24(23-9-11-27-28(16-23)40-20-39-27)15-26-18-29(35(34-26)19-21-5-2-1-3-6-21)38-14-12-25-10-8-22-7-4-13-32-31(22)33-25/h1-3,5-6,8-11,16,18,24H,4,7,12-15,17,19-20H2,(H,32,33)(H,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.84 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta5 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50185456
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1S(=O)(=O)CCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H28N4O6S/c1-29-23(36(32,33)10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)35-15-34-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.86 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta5 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50185452
(3-(benzo[d][1,3]dioxol-5-yl)-4-(5-(2-(5,6,7,8-tetr...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n[nH]1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H26N4O5/c29-23(30)12-17(16-4-6-20-21(11-16)33-14-32-20)10-19-13-22(28-27-19)31-9-7-18-5-3-15-2-1-8-25-24(15)26-18/h3-6,11,13,17H,1-2,7-10,12,14H2,(H,25,26)(H,27,28)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta5 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185451
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(6-(methylami...)Show SMILES CNc1cccc(CCOc2cc(CC(CC(O)=O)c3ccc4OCOc4c3)on2)n1 Show InChI InChI=1S/C22H23N3O6/c1-23-20-4-2-3-16(24-20)7-8-28-21-12-17(31-25-21)9-15(11-22(26)27)14-5-6-18-19(10-14)30-13-29-18/h2-6,10,12,15H,7-9,11,13H2,1H3,(H,23,24)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185451
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(6-(methylami...)Show SMILES CNc1cccc(CCOc2cc(CC(CC(O)=O)c3ccc4OCOc4c3)on2)n1 Show InChI InChI=1S/C22H23N3O6/c1-23-20-4-2-3-16(24-20)7-8-28-21-12-17(31-25-21)9-15(11-22(26)27)14-5-6-18-19(10-14)30-13-29-18/h2-6,10,12,15H,7-9,11,13H2,1H3,(H,23,24)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.49 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50185468
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(1-m...)Show SMILES CN1CCNc2nc(CCOc3cc(CC(CC(O)=O)c4ccc5OCOc5c4)nn3C)ccc12 Show InChI InChI=1S/C25H29N5O5/c1-29-9-8-26-25-20(29)5-4-18(27-25)7-10-33-23-14-19(28-30(23)2)11-17(13-24(31)32)16-3-6-21-22(12-16)35-15-34-21/h3-6,12,14,17H,7-11,13,15H2,1-2H3,(H,26,27)(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.58 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta5 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185457
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-benzyl-5-(2-(5,6...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(Cc2ccccc2)n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H32N4O5/c36-30(37)17-24(23-9-11-27-28(16-23)40-20-39-27)15-26-18-29(35(34-26)19-21-5-2-1-3-6-21)38-14-12-25-10-8-22-7-4-13-32-31(22)33-25/h1-3,5-6,8-11,16,18,24H,4,7,12-15,17,19-20H2,(H,32,33)(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185456
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1S(=O)(=O)CCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H28N4O6S/c1-29-23(36(32,33)10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)35-15-34-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185458
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(6-(...)Show SMILES CNc1cccc(CCOc2cc(CC(CC(O)=O)c3ccc4OCOc4c3)nn2C)n1 Show InChI InChI=1S/C23H26N4O5/c1-24-21-5-3-4-17(25-21)8-9-30-22-13-18(26-27(22)2)10-16(12-23(28)29)15-6-7-19-20(11-15)32-14-31-19/h3-7,11,13,16H,8-10,12,14H2,1-2H3,(H,24,25)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185467
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-butyl-5-(2-(5,6,...)Show SMILES CCCCn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C28H34N4O5/c1-2-3-12-32-26(35-13-10-22-8-6-19-5-4-11-29-28(19)30-22)17-23(31-32)14-21(16-27(33)34)20-7-9-24-25(15-20)37-18-36-24/h6-9,15,17,21H,2-5,10-14,16,18H2,1H3,(H,29,30)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50185467
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-butyl-5-(2-(5,6,...)Show SMILES CCCCn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C28H34N4O5/c1-2-3-12-32-26(35-13-10-22-8-6-19-5-4-11-29-28(19)30-22)17-23(31-32)14-21(16-27(33)34)20-7-9-24-25(15-20)37-18-36-24/h6-9,15,17,21H,2-5,10-14,16,18H2,1H3,(H,29,30)(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta5 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50185463
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-phenyl-5-(2-(5,6...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(n1)-c1ccccc1)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H30N4O5/c35-29(36)17-22(21-9-11-26-27(16-21)39-19-38-26)15-24-18-28(34(33-24)25-6-2-1-3-7-25)37-14-12-23-10-8-20-5-4-13-31-30(20)32-23/h1-3,6-11,16,18,22H,4-5,12-15,17,19H2,(H,31,32)(H,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.27 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta5 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50185462
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1SCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H28N4O4S/c1-29-23(34-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)33-15-32-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.43 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta5 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50185459
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(4,5-dihydro-...)Show SMILES [#8]-[#6](=O)-[#6]-[#6](-[#6]-c1cc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)no1)-c1ccc2-[#8]-[#6]-[#8]-c2c1 Show InChI InChI=1S/C20H24N4O6/c25-19(26)10-14(13-2-3-16-17(9-13)29-12-28-16)8-15-11-18(24-30-15)27-7-1-4-21-20-22-5-6-23-20/h2-3,9,11,14H,1,4-8,10,12H2,(H,25,26)(H2,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta5 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50185458
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(6-(...)Show SMILES CNc1cccc(CCOc2cc(CC(CC(O)=O)c3ccc4OCOc4c3)nn2C)n1 Show InChI InChI=1S/C23H26N4O5/c1-24-21-5-3-4-17(25-21)8-9-30-22-13-18(26-27(22)2)10-16(12-23(28)29)15-6-7-19-20(11-15)32-14-31-19/h3-7,11,13,16H,8-10,12,14H2,1-2H3,(H,24,25)(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta5 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50185457
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-benzyl-5-(2-(5,6...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(Cc2ccccc2)n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H32N4O5/c36-30(37)17-24(23-9-11-27-28(16-23)40-20-39-27)15-26-18-29(35(34-26)19-21-5-2-1-3-6-21)38-14-12-25-10-8-22-7-4-13-32-31(22)33-25/h1-3,5-6,8-11,16,18,24H,4,7,12-15,17,19-20H2,(H,32,33)(H,36,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alpha2bbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50185461
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(3-(3,4...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCCN=C1CCCCN1 |w:25.27| Show InChI InChI=1S/C23H30N4O5/c1-27-22(30-10-4-9-25-21-5-2-3-8-24-21)14-18(26-27)11-17(13-23(28)29)16-6-7-19-20(12-16)32-15-31-19/h6-7,12,14,17H,2-5,8-11,13,15H2,1H3,(H,24,25)(H,28,29) | PDB
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| Article
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| n/a | n/a | 16.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alpha2bbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50185451
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(6-(methylami...)Show SMILES CNc1cccc(CCOc2cc(CC(CC(O)=O)c3ccc4OCOc4c3)on2)n1 Show InChI InChI=1S/C22H23N3O6/c1-23-20-4-2-3-16(24-20)7-8-28-21-12-17(31-25-21)9-15(11-22(26)27)14-5-6-18-19(10-14)30-13-29-18/h2-6,10,12,15H,7-9,11,13H2,1H3,(H,23,24)(H,26,27) | PDB
MMDB
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Reactome pathway
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| n/a | n/a | 17.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta5 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50185453
(3-(2-(4-chlorophenyl)thiazol-5-yl)-4-(1-methyl-5-(...)Show SMILES Cn1nc(CC(CC(O)=O)c2cnc(s2)-c2ccc(Cl)cc2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C27H28ClN5O3S/c1-33-24(36-12-10-21-9-6-17-3-2-11-29-26(17)31-21)15-22(32-33)13-19(14-25(34)35)23-16-30-27(37-23)18-4-7-20(28)8-5-18/h4-9,15-16,19H,2-3,10-14H2,1H3,(H,29,31)(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
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| Article
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta5 integrin in 293 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50185461
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(3-(3,4...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCCN=C1CCCCN1 |w:25.27| Show InChI InChI=1S/C23H30N4O5/c1-27-22(30-10-4-9-25-21-5-2-3-8-24-21)14-18(26-27)11-17(13-23(28)29)16-6-7-19-20(12-16)32-15-31-19/h6-7,12,14,17H,2-5,8-11,13,15H2,1H3,(H,24,25)(H,28,29) | PDB
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| CHEMBL
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50185450
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H28N4O5/c1-29-23(32-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)34-15-33-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31) | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 23.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alpha2bbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50185463
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-phenyl-5-(2-(5,6...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(n1)-c1ccccc1)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H30N4O5/c35-29(36)17-22(21-9-11-26-27(16-21)39-19-38-26)15-24-18-28(34(33-24)25-6-2-1-3-7-25)37-14-12-23-10-8-20-5-4-13-31-30(20)32-23/h1-3,6-11,16,18,22H,4-5,12-15,17,19H2,(H,31,32)(H,35,36) | PDB
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| Article
PubMed
| n/a | n/a | 24.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alpha2bbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185471
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-(2-hydroxyethyl)...)Show SMILES OCCn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C26H30N4O6/c31-10-9-30-24(34-11-7-20-5-3-17-2-1-8-27-26(17)28-20)15-21(29-30)12-19(14-25(32)33)18-4-6-22-23(13-18)36-16-35-22/h3-6,13,15,19,31H,1-2,7-12,14,16H2,(H,27,28)(H,32,33) | PDB
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| Article
PubMed
| n/a | n/a | 25.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50185470
(3-(benzo[d][1,3]dioxol-5-yl)-4-(5-(2-(5,6,7,8-tetr...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(F)(F)F)n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H27F3N4O5/c27-26(28,29)14-33-23(36-9-7-19-5-3-16-2-1-8-30-25(16)31-19)13-20(32-33)10-18(12-24(34)35)17-4-6-21-22(11-17)38-15-37-21/h3-6,11,13,18H,1-2,7-10,12,14-15H2,(H,30,31)(H,34,35) | PDB
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| Article
PubMed
| n/a | n/a | 32.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alpha2bbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50185468
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(1-m...)Show SMILES CN1CCNc2nc(CCOc3cc(CC(CC(O)=O)c4ccc5OCOc5c4)nn3C)ccc12 Show InChI InChI=1S/C25H29N5O5/c1-29-9-8-26-25-20(29)5-4-18(27-25)7-10-33-23-14-19(28-30(23)2)11-17(13-24(31)32)16-3-6-21-22(12-16)35-15-34-21/h3-6,12,14,17H,7-11,13,15H2,1-2H3,(H,26,27)(H,31,32) | PDB
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| Article
PubMed
| n/a | n/a | 36.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alpha2bbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50185462
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1SCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H28N4O4S/c1-29-23(34-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)33-15-32-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31) | PDB
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| Article
PubMed
| n/a | n/a | 37.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alpha2bbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50185467
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-butyl-5-(2-(5,6,...)Show SMILES CCCCn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C28H34N4O5/c1-2-3-12-32-26(35-13-10-22-8-6-19-5-4-11-29-28(19)30-22)17-23(31-32)14-21(16-27(33)34)20-7-9-24-25(15-20)37-18-36-24/h6-9,15,17,21H,2-5,10-14,16,18H2,1H3,(H,29,30)(H,33,34) | PDB
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| Article
PubMed
| n/a | n/a | 39.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alpha2bbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50185453
(3-(2-(4-chlorophenyl)thiazol-5-yl)-4-(1-methyl-5-(...)Show SMILES Cn1nc(CC(CC(O)=O)c2cnc(s2)-c2ccc(Cl)cc2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C27H28ClN5O3S/c1-33-24(36-12-10-21-9-6-17-3-2-11-29-26(17)31-21)15-22(32-33)13-19(14-25(34)35)23-16-30-27(37-23)18-4-7-20(28)8-5-18/h4-9,15-16,19H,2-3,10-14H2,1H3,(H,29,31)(H,34,35) | PDB
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| Article
PubMed
| n/a | n/a | 57.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alpha2bbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185454
(3-(6-methoxypyridin-3-yl)-4-(3-(2-(5,6,7,8-tetrahy...)Show SMILES COc1ccc(cn1)C(CC(O)=O)Cc1cc(OCCc2ccc3CCCNc3n2)no1 Show InChI InChI=1S/C23H26N4O5/c1-30-20-7-5-16(14-25-20)17(12-22(28)29)11-19-13-21(27-32-19)31-10-8-18-6-4-15-3-2-9-24-23(15)26-18/h4-7,13-14,17H,2-3,8-12H2,1H3,(H,24,26)(H,28,29) | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 66.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50185458
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(6-(...)Show SMILES CNc1cccc(CCOc2cc(CC(CC(O)=O)c3ccc4OCOc4c3)nn2C)n1 Show InChI InChI=1S/C23H26N4O5/c1-24-21-5-3-4-17(25-21)8-9-30-22-13-18(26-27(22)2)10-16(12-23(28)29)15-6-7-19-20(11-15)32-14-31-19/h3-7,11,13,16H,8-10,12,14H2,1-2H3,(H,24,25)(H,28,29) | PDB
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| Article
PubMed
| n/a | n/a | 80.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alpha2bbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50185452
(3-(benzo[d][1,3]dioxol-5-yl)-4-(5-(2-(5,6,7,8-tetr...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n[nH]1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H26N4O5/c29-23(30)12-17(16-4-6-20-21(11-16)33-14-32-20)10-19-13-22(28-27-19)31-9-7-18-5-3-15-2-1-8-25-24(15)26-18/h3-6,11,13,17H,1-2,7-10,12,14H2,(H,25,26)(H,27,28)(H,29,30) | PDB
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| Article
PubMed
| n/a | n/a | 81.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alpha2bbeta3 integrin by SPRA |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185472
(3-(2-(4-chlorophenyl)thiazol-5-yl)-4-(3-(2-(5,6,7,...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)no1)c1cnc(s1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H25ClN4O4S/c27-19-6-3-17(4-7-19)26-29-15-22(36-26)18(13-24(32)33)12-21-14-23(31-35-21)34-11-9-20-8-5-16-2-1-10-28-25(16)30-20/h3-8,14-15,18H,1-2,9-13H2,(H,28,30)(H,32,33) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 131 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185455
(3-(6-methoxypyridin-3-yl)-4-(1-methyl-5-(2-(5,6,7,...)Show SMILES COc1ccc(cn1)C(CC(O)=O)Cc1cc(OCCc2ccc3CCCNc3n2)n(C)n1 Show InChI InChI=1S/C24H29N5O4/c1-29-22(33-11-9-19-7-5-16-4-3-10-25-24(16)27-19)14-20(28-29)12-18(13-23(30)31)17-6-8-21(32-2)26-15-17/h5-8,14-15,18H,3-4,9-13H2,1-2H3,(H,25,27)(H,30,31) | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185453
(3-(2-(4-chlorophenyl)thiazol-5-yl)-4-(1-methyl-5-(...)Show SMILES Cn1nc(CC(CC(O)=O)c2cnc(s2)-c2ccc(Cl)cc2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C27H28ClN5O3S/c1-33-24(36-12-10-21-9-6-17-3-2-11-29-26(17)31-21)15-22(32-33)13-19(14-25(34)35)23-16-30-27(37-23)18-4-7-20(28)8-5-18/h4-9,15-16,19H,2-3,10-14H2,1H3,(H,29,31)(H,34,35) | PDB
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| n/a | n/a | 189 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185465
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(1,2...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2NCCNc2n1 Show InChI InChI=1S/C24H27N5O5/c1-29-22(32-9-6-17-3-4-19-24(27-17)26-8-7-25-19)13-18(28-29)10-16(12-23(30)31)15-2-5-20-21(11-15)34-14-33-20/h2-5,11,13,16,25H,6-10,12,14H2,1H3,(H,26,27)(H,30,31) | PDB
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| n/a | n/a | 216 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185469
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(1-methyl-1,2...)Show SMILES CN1CCNc2nc(CCOc3cc(CC(CC(O)=O)c4ccc5OCOc5c4)on3)ccc12 Show InChI InChI=1S/C24H26N4O6/c1-28-8-7-25-24-19(28)4-3-17(26-24)6-9-31-22-13-18(34-27-22)10-16(12-23(29)30)15-2-5-20-21(11-15)33-14-32-20/h2-5,11,13,16H,6-10,12,14H2,1H3,(H,25,26)(H,29,30) | PDB
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| n/a | n/a | 323 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185466
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-...)Show SMILES Cn1nc(C[C@@H](CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H28N4O5/c1-29-23(32-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)34-15-33-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31)/t18-/m0/s1 | PDB
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| n/a | n/a | 347 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185464
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(5,6,7,8-tetr...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H25N3O6/c28-23(29)12-17(16-4-6-20-21(11-16)32-14-31-20)10-19-13-22(27-33-19)30-9-7-18-5-3-15-2-1-8-25-24(15)26-18/h3-6,11,13,17H,1-2,7-10,12,14H2,(H,25,26)(H,28,29) | PDB
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| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185463
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-phenyl-5-(2-(5,6...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(n1)-c1ccccc1)c1ccc2OCOc2c1 Show InChI InChI=1S/C30H30N4O5/c35-29(36)17-22(21-9-11-26-27(16-21)39-19-38-26)15-24-18-28(34(33-24)25-6-2-1-3-7-25)37-14-12-23-10-8-20-5-4-13-31-30(20)32-23/h1-3,6-11,16,18,22H,4-5,12-15,17,19H2,(H,31,32)(H,35,36) | PDB
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PubMed
| n/a | n/a | 352 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185470
(3-(benzo[d][1,3]dioxol-5-yl)-4-(5-(2-(5,6,7,8-tetr...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(F)(F)F)n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H27F3N4O5/c27-26(28,29)14-33-23(36-9-7-19-5-3-16-2-1-8-30-25(16)31-19)13-20(32-33)10-18(12-24(34)35)17-4-6-21-22(11-17)38-15-37-21/h3-6,11,13,18H,1-2,7-10,12,14-15H2,(H,30,31)(H,34,35) | PDB
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| n/a | n/a | 465 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185460
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-(carboxymethyl)-...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(O)=O)n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H28N4O7/c31-24(32)12-18(17-4-6-21-22(11-17)37-15-36-21)10-20-13-23(30(29-20)14-25(33)34)35-9-7-19-5-3-16-2-1-8-27-26(16)28-19/h3-6,11,13,18H,1-2,7-10,12,14-15H2,(H,27,28)(H,31,32)(H,33,34) | PDB
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| n/a | n/a | 491 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185452
(3-(benzo[d][1,3]dioxol-5-yl)-4-(5-(2-(5,6,7,8-tetr...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n[nH]1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H26N4O5/c29-23(30)12-17(16-4-6-20-21(11-16)33-14-32-20)10-19-13-22(28-27-19)31-9-7-18-5-3-15-2-1-8-25-24(15)26-18/h3-6,11,13,17H,1-2,7-10,12,14H2,(H,25,26)(H,27,28)(H,29,30) | PDB
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| n/a | n/a | 674 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185450
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H28N4O5/c1-29-23(32-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)34-15-33-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31) | PDB
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| n/a | n/a | 754 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185456
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1S(=O)(=O)CCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H28N4O6S/c1-29-23(36(32,33)10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)35-15-34-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31) | PDB
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PubMed
| n/a | n/a | 1.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185468
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(1-m...)Show SMILES CN1CCNc2nc(CCOc3cc(CC(CC(O)=O)c4ccc5OCOc5c4)nn3C)ccc12 Show InChI InChI=1S/C25H29N5O5/c1-29-9-8-26-25-20(29)5-4-18(27-25)7-10-33-23-14-19(28-30(23)2)11-17(13-24(31)32)16-3-6-21-22(12-16)35-15-34-21/h3-6,12,14,17H,7-11,13,15H2,1-2H3,(H,26,27)(H,31,32) | PDB
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| n/a | n/a | 1.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185467
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-butyl-5-(2-(5,6,...)Show SMILES CCCCn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C28H34N4O5/c1-2-3-12-32-26(35-13-10-22-8-6-19-5-4-11-29-28(19)30-22)17-23(31-32)14-21(16-27(33)34)20-7-9-24-25(15-20)37-18-36-24/h6-9,15,17,21H,2-5,10-14,16,18H2,1H3,(H,29,30)(H,33,34) | PDB
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PubMed
| n/a | n/a | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185457
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-benzyl-5-(2-(5,6...)Show SMILES OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(Cc2ccccc2)n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H32N4O5/c36-30(37)17-24(23-9-11-27-28(16-23)40-20-39-27)15-26-18-29(35(34-26)19-21-5-2-1-3-6-21)38-14-12-25-10-8-22-7-4-13-32-31(22)33-25/h1-3,5-6,8-11,16,18,24H,4,7,12-15,17,19-20H2,(H,32,33)(H,36,37) | PDB
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PubMed
| n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185462
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(5,6...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1SCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H28N4O4S/c1-29-23(34-10-8-19-6-4-16-3-2-9-26-25(16)27-19)14-20(28-29)11-18(13-24(30)31)17-5-7-21-22(12-17)33-15-32-21/h4-7,12,14,18H,2-3,8-11,13,15H2,1H3,(H,26,27)(H,30,31) | PDB
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PubMed
| n/a | n/a | 4.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185458
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(2-(6-(...)Show SMILES CNc1cccc(CCOc2cc(CC(CC(O)=O)c3ccc4OCOc4c3)nn2C)n1 Show InChI InChI=1S/C23H26N4O5/c1-24-21-5-3-4-17(25-21)8-9-30-22-13-18(26-27(22)2)10-16(12-23(28)29)15-6-7-19-20(11-15)32-14-31-19/h3-7,11,13,16H,8-10,12,14H2,1-2H3,(H,24,25)(H,28,29) | PDB
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PubMed
| n/a | n/a | 4.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185459
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(4,5-dihydro-...)Show SMILES [#8]-[#6](=O)-[#6]-[#6](-[#6]-c1cc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)no1)-c1ccc2-[#8]-[#6]-[#8]-c2c1 Show InChI InChI=1S/C20H24N4O6/c25-19(26)10-14(13-2-3-16-17(9-13)29-12-28-16)8-15-11-18(24-30-15)27-7-1-4-21-20-22-5-6-23-20/h2-3,9,11,14H,1,4-8,10,12H2,(H,25,26)(H2,21,22,23) | PDB
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PubMed
| n/a | n/a | 6.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185451
(3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(6-(methylami...)Show SMILES CNc1cccc(CCOc2cc(CC(CC(O)=O)c3ccc4OCOc4c3)on2)n1 Show InChI InChI=1S/C22H23N3O6/c1-23-20-4-2-3-16(24-20)7-8-28-21-12-17(31-25-21)9-15(11-22(26)27)14-5-6-18-19(10-14)30-13-29-18/h2-6,10,12,15H,7-9,11,13H2,1H3,(H,23,24)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50185461
(3-(benzo[d][1,3]dioxol-5-yl)-4-(1-methyl-5-(3-(3,4...)Show SMILES Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCCN=C1CCCCN1 |w:25.27| Show InChI InChI=1S/C23H30N4O5/c1-27-22(30-10-4-9-25-21-5-2-3-8-24-21)14-18(26-27)11-17(13-23(28)29)16-6-7-19-20(12-16)32-15-31-19/h6-7,12,14,17H,2-5,8-11,13,15H2,1H3,(H,24,25)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alphavbeta6 integrin in HT29 cells |
Bioorg Med Chem Lett 16: 3156-61 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.045
BindingDB Entry DOI: 10.7270/Q29023CB |
More data for this
Ligand-Target Pair | |
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