Found 5 hits for monomerid = 50185468 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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-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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| 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-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 | 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)) | 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-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
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 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 | |