BDBM50199411 CHEMBL3951678::US10131658, Compound 87
SMILES: OC(=O)[C@H](Cc1ccc(NC(=O)CCCNC2=NCCN2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
InChI Key: InChIKey=AJZHUKFTTKIGAR-GOTSBHOMSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Integrin alpha-V/beta-1 (Homo sapiens (Human)) | BDBM50199411 (CHEMBL3951678 | US10131658, Compound 87) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco Curated by ChEMBL | Assay Description Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub... | ACS Med Chem Lett 7: 902-907 (2016) Article DOI: 10.1021/acsmedchemlett.6b00196 BindingDB Entry DOI: 10.7270/Q2XP76X4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-5/beta-1 [T112H] (Homo sapiens (Human)) | BDBM50199411 (CHEMBL3951678 | US10131658, Compound 87) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
The Regents of the University of California US Patent | Assay Description A panel of cell lines and integrin ligands were developed to allow rapid examination of potency and specificity of inhibitors against all 8 integrins... | US Patent US10131658 (2018) BindingDB Entry DOI: 10.7270/Q2SX6G8Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-5/beta-1 [T112H] (Homo sapiens (Human)) | BDBM50199411 (CHEMBL3951678 | US10131658, Compound 87) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 505 | n/a | n/a | n/a | n/a | n/a | n/a |
The Regents of the University of California US Patent | Assay Description A panel of cell lines and integrin ligands were developed to allow rapid examination of potency and specificity of inhibitors against all 8 integrins... | US Patent US10131658 (2018) BindingDB Entry DOI: 10.7270/Q2SX6G8Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-V/beta-1 (Homo sapiens (Human)) | BDBM50199411 (CHEMBL3951678 | US10131658, Compound 87) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.126 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco Curated by ChEMBL | Assay Description Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub... | ACS Med Chem Lett 7: 902-907 (2016) Article DOI: 10.1021/acsmedchemlett.6b00196 BindingDB Entry DOI: 10.7270/Q2XP76X4 | |||||||||||
More data for this Ligand-Target Pair |