| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Integrin alpha-V/beta-3 |
|---|
| Ligand | BDBM50134778 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_217805 (CHEMBL823261) |
|---|
| IC50 | 0.08±n/a nM |
|---|
| Citation |  Hutchinson, JH; Halczenko, W; Brashear, KM; Breslin, MJ; Coleman, PJ; Duong, le T; Fernandez-Metzler, C; Gentile, MA; Fisher, JE; Hartman, GD; Huff, JR; Kimmel, DB; Leu, CT; Meissner, RS; Merkle, K; Nagy, R; Pennypacker, B; Perkins, JJ; Prueksaritanont, T; Rodan, GA; Varga, SL; Wesolowski, GA; Zartman, AE; Rodan, SB; Duggan, ME Nonpeptide alphavbeta3 antagonists. 8. In vitro and in vivo evaluation of a potent alphavbeta3 antagonist for the prevention and treatment of osteoporosis. J Med Chem46:4790-8 (2003) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Integrin alpha-V/beta-3 |
|---|
| Name: | Integrin alpha-V/beta-3 |
|---|
| Synonyms: | ITGAV/ITGB3 | Integrin beta-3/Vitronectin receptor alpha |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | n/a |
|---|
| Description: | n/a |
|---|
| Components: | This complex has 2 components. |
|---|
| Component 1 |
| Name: | Integrin alpha-V |
|---|
| Synonyms: | ITAV_HUMAN | ITGAV | Integrin alpha-V/alpha-5 | MSK8 | VNRA | VTNR | Vitronectin receptor | Vitronectin receptor subunit alpha |
|---|
| Type: | PROTEIN |
|---|
| Mol. Mass.: | 116024.92 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | ChEMBL_582336 |
|---|
| Residue: | 1048 |
|---|
| Sequence: | MAFPPRRRLRLGPRGLPLLLSGLLLPLCRAFNLDVDSPAEYSGPEGSYFGFAVDFFVPSA
SSRMFLLVGAPKANTTQPGIVEGGQVLKCDWSSTRRCQPIEFDATGNRDYAKDDPLEFKS
HQWFGASVRSKQDKILACAPLYHWRTEMKQEREPVGTCFLQDGTKTVEYAPCRSQDIDAD
GQGFCQGGFSIDFTKADRVLLGGPGSFYWQGQLISDQVAEIVSKYDPNVYSIKYNNQLAT
RTAQAIFDDSYLGYSVAVGDFNGDGIDDFVSGVPRAARTLGMVYIYDGKNMSSLYNFTGE
QMAAYFGFSVAATDINGDDYADVFIGAPLFMDRGSDGKLQEVGQVSVSLQRASGDFQTTK
LNGFEVFARFGSAIAPLGDLDQDGFNDIAIAAPYGGEDKKGIVYIFNGRSTGLNAVPSQI
LEGQWAARSMPPSFGYSMKGATDIDKNGYPDLIVGAFGVDRAILYRARPVITVNAGLEVY
PSILNQDNKTCSLPGTALKVSCFNVRFCLKADGKGVLPRKLNFQVELLLDKLKQKGAIRR
ALFLYSRSPSHSKNMTISRGGLMQCEELIAYLRDESEFRDKLTPITIFMEYRLDYRTAAD
TTGLQPILNQFTPANISRQAHILLDCGEDNVCKPKLEVSVDSDQKKIYIGDDNPLTLIVK
AQNQGEGAYEAELIVSIPLQADFIGVVRNNEALARLSCAFKTENQTRQVVCDLGNPMKAG
TQLLAGLRFSVHQQSEMDTSVKFDLQIQSSNLFDKVSPVVSHKVDLAVLAAVEIRGVSSP
DHVFLPIPNWEHKENPETEEDVGPVVQHIYELRNNGPSSFSKAMLHLQWPYKYNNNTLLY
ILHYDIDGPMNCTSDMEINPLRIKISSLQTTEKNDTVAGQGERDHLITKRDLALSEGDIH
TLGCGVAQCLKIVCQVGRLDRGKSAILYVKSLLWTETFMNKENQNHSYSLKSSASFNVIE
FPYKNLPIEDITNSTLVTTNVTWGIQPAPMPVPVWVIILAVLAGLLLLAVLVFVMYRMGF
FKRVRPPQEEQEREQLQPHENGEGNSET
|
|
|
|---|
| Component 2 |
| Name: | Integrin beta-3 |
|---|
| Synonyms: | CD_antigen=CD61 | GP3A | GPIIIa | ITB3_HUMAN | ITGB3 | Integrin alpha-V/beta-3/alpha-V/beta-5 | Platelet membrane glycoprotein IIIa |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 87038.91 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P05106 |
|---|
| Residue: | 788 |
|---|
| Sequence: | MRARPRPRPLWATVLALGALAGVGVGGPNICTTRGVSSCQQCLAVSPMCAWCSDEALPLG
SPRCDLKENLLKDNCAPESIEFPVSEARVLEDRPLSDKGSGDSSQVTQVSPQRIALRLRP
DDSKNFSIQVRQVEDYPVDIYYLMDLSYSMKDDLWSIQNLGTKLATQMRKLTSNLRIGFG
AFVDKPVSPYMYISPPEALENPCYDMKTTCLPMFGYKHVLTLTDQVTRFNEEVKKQSVSR
NRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVQPNDGQCH
VGSDNHYSASTTMDYPSLGLMTEKLSQKNINLIFAVTENVVNLYQNYSELIPGTTVGVLS
MDSSNVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVIPGLKSCMGLKIGDT
VSFSIEAKVRGCPQEKEKSFTIKPVGFKDSLIVQVTFDCDCACQAQAEPNSHRCNNGNGT
FECGVCRCGPGWLGSQCECSEEDYRPSQQDECSPREGQPVCSQRGECLCGQCVCHSSDFG
KITGKYCECDDFSCVRYKGEMCSGHGQCSCGDCLCDSDWTGYYCNCTTRTDTCMSSNGLL
CSGRGKCECGSCVCIQPGSYGDTCEKCPTCPDACTFKKECVECKKFDRGALHDENTCNRY
CRDEIESVKELKDTGKDAVNCTYKNEDDCVVRFQYYEDSSGKSILYVVEEPECPKGPDIL
VVLLSVMGAILLIGLAALLIWKLLITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTF
TNITYRGT
|
|
|
|---|
| BDBM50134778 |
|---|
| n/a |
|---|
| Name | BDBM50134778 |
|---|
| Synonyms: | (S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propyl]-imidazolidin-1-yl}-propionic acid | (S)-3-(6-methoxypyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid | CHEMBL145085 | US11685738, Compound A30s |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C23H29N5O4 |
|---|
| Mol. Mass. | 439.5075 |
|---|
| SMILES | COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O |
|---|
| Structure | 
|
|---|
Search and Browse
