Found 5 hits for monomerid = 50185452 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-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-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
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 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-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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| 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-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)) | 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 | 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 | |