BDBM50545182 CHEMBL4636873
SMILES: OC(=O)C(F)(F)F.COc1c2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc2
InChI Key: InChIKey=LELJACWZFWEUNI-NFQNBQCWSA-N
Data: 6 IC50
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 |
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ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50545182 (CHEMBL4636873) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL | Assay Description Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta3 (Gly27 to Asp718 residues) expressed in CHO c... | Bioorg Med Chem Lett 30: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB5 (Homo sapiens (Human)) | BDBM50545182 (CHEMBL4636873) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 4.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL | Assay Description Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta5 (Gly24 to Asn719 residues) expressed in CHO c... | Bioorg Med Chem Lett 30: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50545182 (CHEMBL4636873) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 4.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL | Assay Description Inhibition of fibrinogen binding to human platelet integrin alpha2b beta3 by ELISA based solid phase binding assay | Bioorg Med Chem Lett 30: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB6 (Homo sapiens (Human)) | BDBM50545182 (CHEMBL4636873) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 709 | n/a | n/a | n/a | n/a | n/a | n/a |
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL | Assay Description Inhibition of latency-associated peptide/TGF-beta binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta6 (Gly22 to Asn707 resi... | Bioorg Med Chem Lett 30: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB8 (Homo sapiens (Human)) | BDBM50545182 (CHEMBL4636873) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 6.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL | Assay Description Inhibition of latency-associated peptide/TGF-beta binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta8 (Glu43 to Arg684 resi... | Bioorg Med Chem Lett 30: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGA5/ITGB1 (Homo sapiens (Human)) | BDBM50545182 (CHEMBL4636873) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 921 | n/a | n/a | n/a | n/a | n/a | n/a |
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL) Curated by ChEMBL | Assay Description Inhibition of fibronectin binding to recombinant human integrin alpha5 (Phe42 to Tyr995 residues) beta1 (Gln21 to Asp728 residues) expressed in CHO c... | Bioorg Med Chem Lett 30: (2020) | |||||||||||
More data for this Ligand-Target Pair |