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Target
Integrin alpha-L
Ligand
BDBM50199033
Substrate
n/a
Meas. Tech.
ChEMBL_629043 (CHEMBL1120947)
IC50
150±n/a nM
Citation
Watterson, SH; Xiao, Z; Dodd, DS; Tortolani, DR; Vaccaro, W; Potin, D; Launay, M; Stetsko, DK; Skala, S; Davis, PM; Lee, D; Yang, X; McIntyre, KW; Balimane, P; Patel, K; Yang, Z; Marathe, P; Kadiyala, P; Tebben, AJ; Sheriff, S; Chang, CY; Ziemba, T; Zhang, H; Chen, BC; DelMonte, AJ; Aranibar, N; McKinnon, M; Barrish, JC; Suchard, SJ; Murali Dhar, TG Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521). J Med Chem 53:3814-30 (2010) [PubMed] Article
More Info.:
Target
Name:
Integrin alpha-L
Synonyms:
CD11 antigen-like family member A | ITAL_MOUSE | Itgal | Leukocyte adhesion glycoprotein LFA-1 alpha chain | Leukocyte function-associated molecule 1 alpha chain | Lfa-1 | Ly-15 | Lymphocyte antigen 15
Type:
Enzyme Catalytic Domain
Mol. Mass.:
128317.79
Organism:
Mus musculus
Description:
P24063
Residue:
1162
Sequence:
MSFRIAGPRLLLLGLQLFAKAWSYNLDTRPTQSFLAQAGRHFGYQVLQIEDGVVVGAPGEGDNTGGLYHCRTSSEFCQPVSLHGSNHTSKYLGMTLATDAAKGSLLACDPGLSRTCDQNTYLSGLCYLFPQSLEGPMLQNRPAYQECMKGKVDLVFLFDGSQSLDRKDFEKILEFMKDVMRKLSNTSYQFAAVQFSTDCRTEFTFLDYVKQNKNPDVLLGSVQPMFLLTNTFRAINYVVAHVFKEESGARPDATKVLVIITDGEASDKGNISAAHDITRYIIGIGKHFVSVQKQKTLHIFASEPVEEFVKILDTFEKLKDLFTDLQRRIYAIEGTNRQDLTSFNMELSSSGISADLSKGHAVVGAVGAKDWAGGFLDLREDLQGATFVGQEPLTSDVRGGYLGYTVAWMTSRSSRPLLAAGAPRYQHVGQVLLFQAPEAGGRWNQTQKIEGTQIGSYFGGELCSVDLDQDGEAELLLIGAPLFFGEQRGGRVFTYQRRQSLFEMVSELQGDPGYPLGRFGAAITALTDINGDRLTDVAVGAPLEEQGAVYIFNGKPGGLSPQPSQRIQGAQVFPGIRWFGRSIHGVKDLGGDRLADVVVGAEGRVVVLSSRPVVDVVTELSFSPEEIPVHEVECSYSAREEQKHGVKLKACFRIKPLTPQFQGRLLANLSYTLQLDGHRMRSRGLFPDGSHELSGNTSITPDKSCLDFHFHFPICIQDLISPINVSLNFSLLEEEGTPRDQKVGRAMQPILRPSIHTVTKEIPFEKNCGEDKKCEANLTLSSPARSGPLRLMSSASLAVEWTLSNSGEDAYWVRLDLDFPRGLSFRKVEMLQPHSRMPVSCEELTEGSSLLTKTLKCNVSSPIFKAGQEVSLQVMFNTLLNSSWEDFVELNGTVHCENENSSLQEDNSAATHIPVLYPVNILTKEQENSTLYISFTPKGPKTQQVQHVYQVRIQPSAYDHNMPTLEALVGVPWPHSEDPITYTWSVQTDPLVTCHSEDLKRPSSEAEQPCLPGVQFRCPIVFRREILIQVTGTVELSKEIKASSTLSLCSSLSVSFNSSKHFHLYGSKASEAQVLVKVDLIHEKEMLHVYVLSGIGGLVLLFLIFLALYKVGFFKRNLKEKMEADGGVPNGSPPEDTDPLAVPGEETKDMGCLEPLRESDKD
Inhibitor
Name:
BDBM50199033
Synonyms:
5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID | 5-[(5S,9R)-9-(4-Ccanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid | 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid | CHEMBL214529 | CHEMBL539342
Type:
Small organic molecule
Emp. Form.:
C26H20Cl2N4O4S
Mol. Mass.:
555.432
SMILES:
CN1C(=O)N(C(=O)[C@]11CN(Cc2cc(cs2)C(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1