BDBM50519162 CHEMBL4573716
SMILES: Cc1cc(C)n(n1)-c1cccc(c1)[C@H](CC([O-])=O)C[N@+]1(C)CC[C@@H](CCc2ccc3CCCNc3n2)C1
InChI Key: InChIKey=BXOSGYRJKCYDLH-UYMYSODTSA-N
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/ITGB6 (Homo sapiens (Human)) | BDBM50519162 (CHEMBL4573716) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.174 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL | Assay Description Inhibition of integrin alphavbeta6 (unknown origin) by radioligand binding assay | J Med Chem 62: 7543-7556 (2019) Article DOI: 10.1021/acs.jmedchem.9b00819 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50519162 (CHEMBL4573716) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL | Assay Description Inhibition of integrin alphavbeta3 (unknown origin) expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP1 (242 to 252 amin... | J Med Chem 62: 7543-7556 (2019) Article DOI: 10.1021/acs.jmedchem.9b00819 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB6 (Homo sapiens (Human)) | BDBM50519162 (CHEMBL4573716) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL | Assay Description Inhibition of integrin alphavbeta6 (unknown origin) expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP1 (242 to 252 amin... | J Med Chem 62: 7543-7556 (2019) Article DOI: 10.1021/acs.jmedchem.9b00819 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB5 (Homo sapiens (Human)) | BDBM50519162 (CHEMBL4573716) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL | Assay Description Inhibition of integrin alphavbeta5 (unknown origin) expressed in human K562 cells assessed as reduction in cell adhesion to human vitronectin incubat... | J Med Chem 62: 7543-7556 (2019) Article DOI: 10.1021/acs.jmedchem.9b00819 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB1 (Homo sapiens (Human)) | BDBM50519162 (CHEMBL4573716) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL | Assay Description Inhibition of integrin alphavbeta1 (unknown origin) expressed in human A549 cells assessed as reduction in cell adhesion to GST-LAP1 (242 to 252 amin... | J Med Chem 62: 7543-7556 (2019) Article DOI: 10.1021/acs.jmedchem.9b00819 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB8 (Homo sapiens (Human)) | BDBM50519162 (CHEMBL4573716) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL | Assay Description Inhibition of integrin alphavbeta8 (unknown origin) expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP1 (242 to 252 amin... | J Med Chem 62: 7543-7556 (2019) Article DOI: 10.1021/acs.jmedchem.9b00819 | |||||||||||
More data for this Ligand-Target Pair |