Reaction Details |
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Target | Integrin beta-2/Intercellular adhesion molecule 1 |
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Ligand | BDBM50324822 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_651428 (CHEMBL1227401) |
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IC50 | 9±n/a nM |
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Citation | Zhong, M; Shen, W; Barr, KJ; Arbitrario, JP; Arkin, MR; Bui, M; Chen, T; Cunningham, BC; Evanchik, MJ; Hanan, EJ; Hoch, U; Huen, K; Hyde, J; Kumer, JL; Lac, T; Lawrence, CE; Martell, JR; Oslob, JD; Paulvannan, K; Prabhu, S; Silverman, JA; Wright, J; Yu, CH; Zhu, J; Flanagan, WM Discovery of tetrahydroisoquinoline (THIQ) derivatives as potent and orally bioavailable LFA-1/ICAM-1 antagonists. Bioorg Med Chem Lett20:5269-73 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Integrin beta-2/Intercellular adhesion molecule 1 |
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Name: | Integrin beta-2/Intercellular adhesion molecule 1 |
Synonyms: | Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of EBI is 651428 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Integrin beta-2 |
Synonyms: | CD18 | ITB2_HUMAN | ITGB2 | Integrin alpha-L/beta-2 (LFA-1) | MFI7 |
Type: | PROTEIN |
Mol. Mass.: | 84785.60 |
Organism: | Homo sapiens (Human) |
Description: | EBI_12662 |
Residue: | 769 |
Sequence: | MLGLRPPLLALVGLLSLGCVLSQECTKFKVSSCRECIESGPGCTWCQKLNFTGPGDPDSI
RCDTRPQLLMRGCAADDIMDPTSLAETQEDHNGGQKQLSPQKVTLYLRPGQAAAFNVTFR
RAKGYPIDLYYLMDLSYSMLDDLRNVKKLGGDLLRALNEITESGRIGFGSFVDKTVLPFV
NTHPDKLRNPCPNKEKECQPPFAFRHVLKLTNNSNQFQTEVGKQLISGNLDAPEGGLDAM
MQVAACPEEIGWRNVTRLLVFATDDGFHFAGDGKLGAILTPNDGRCHLEDNLYKRSNEFD
YPSVGQLAHKLAENNIQPIFAVTSRMVKTYEKLTEIIPKSAVGELSEDSSNVVQLIKNAY
NKLSSRVFLDHNALPDTLKVTYDSFCSNGVTHRNQPRGDCDGVQINVPITFQVKVTATEC
IQEQSFVIRALGFTDIVTVQVLPQCECRCRDQSRDRSLCHGKGFLECGICRCDTGYIGKN
CECQTQGRSSQELEGSCRKDNNSIICSGLGDCVCGQCLCHTSDVPGKLIYGQYCECDTIN
CERYNGQVCGGPGRGLCFCGKCRCHPGFEGSACQCERTTEGCLNPRRVECSGRGRCRCNV
CECHSGYQLPLCQECPGCPSPCGKYISCAECLKFEKGPFGKNCSAACPGLQLSNNPVKGR
TCKERDSEGCWVAYTLEQQDGMDRYLIYVDESRECVAGPNIAAIVGGTVAGIVLIGILLL
VIWKALIHLSDLREYRRFEKEKLKSQWNNDNPLFKSATTTVMNPKFAES
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Component 2 |
Name: | Intercellular adhesion molecule 1 |
Synonyms: | CD_antigen=CD54 | ICAM-1 | ICAM1 | ICAM1_HUMAN | Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 | Intercellular adhesion molecule 1 | Intercellular adhesion molecule-1 | Major group rhinovirus receptor |
Type: | PROTEIN |
Mol. Mass.: | 57831.10 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_826675 |
Residue: | 532 |
Sequence: | MAPSSPRPALPALLVLLGALFPGPGNAQTSVSPSKVILPRGGSVLVTCSTSCDQPKLLGI
ETPLPKKELLLPGNNRKVYELSNVQEDSQPMCYSNCPDGQSTAKTFLTVYWTPERVELAP
LPSWQPVGKNLTLRCQVEGGAPRANLTVVLLRGEKELKREPAVGEPAEVTTTVLVRRDHH
GANFSCRTELDLRPQGLELFENTSAPYQLQTFVLPATPPQLVSPRVLEVDTQGTVVCSLD
GLFPVSEAQVHLALGDQRLNPTVTYGNDSFSAKASVSVTAEDEGTQRLTCAVILGNQSQE
TLQTVTIYSFPAPNVILTKPEVSEGTEVTVKCEAHPRAKVTLNGVPAQPLGPRAQLLLKA
TPEDNGRSFSCSATLEVAGQLIHKNQTRELRVLYGPRLDERDCPGNWTWPENSQQTPMCQ
AWGNPLPELKCLKDGTFPLPIGESVTVTRDLEGTYLCRARSTQGEVTRKVTVNVLSPRYE
IVIITVVAAAVIMGTAGLSTYLYNRQRKIKKYRLQQAQKGTPMKPNTQATPP
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BDBM50324822 |
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n/a |
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Name | BDBM50324822 |
Synonyms: | (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(thiophene-2-carboxamido)propanoic acid | CHEMBL1222288 |
Type | Small organic molecule |
Emp. Form. | C27H21Cl2N3O6S |
Mol. Mass. | 586.443 |
SMILES | OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc2ccoc2c1 |r| |
Structure |
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