BDBM50247595 CHEMBL4064397
SMILES: Cc1cc(NC2CCN(CC2)C(=O)CCNCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1
InChI Key: InChIKey=AIETUBHCUYNJHA-UHFFFAOYSA-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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C-X-C chemokine receptor type 4 (Homo sapiens (Human)) | BDBM50247595 (CHEMBL4064397) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes Curated by ChEMBL | Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method | J Med Chem 61: 818-833 (2018) BindingDB Entry DOI: 10.7270/Q2KH0QRM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50247595 (CHEMBL4064397) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes Curated by ChEMBL | Assay Description Inhibition of human liver microsomal CYP3A4 | J Med Chem 61: 818-833 (2018) BindingDB Entry DOI: 10.7270/Q2KH0QRM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2E1 (Homo sapiens (Human)) | BDBM50247595 (CHEMBL4064397) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes Curated by ChEMBL | Assay Description Inhibition of human liver microsomal CYP2E1 | J Med Chem 61: 818-833 (2018) BindingDB Entry DOI: 10.7270/Q2KH0QRM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50247595 (CHEMBL4064397) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes Curated by ChEMBL | Assay Description Inhibition of human liver microsomal CYP2C19 | J Med Chem 61: 818-833 (2018) BindingDB Entry DOI: 10.7270/Q2KH0QRM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50247595 (CHEMBL4064397) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes Curated by ChEMBL | Assay Description Inhibition of human liver microsomal CYP2C9 | J Med Chem 61: 818-833 (2018) BindingDB Entry DOI: 10.7270/Q2KH0QRM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM50247595 (CHEMBL4064397) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes Curated by ChEMBL | Assay Description Inhibition of human liver microsomal CYP1A2 | J Med Chem 61: 818-833 (2018) BindingDB Entry DOI: 10.7270/Q2KH0QRM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-X-C chemokine receptor type 4 (Homo sapiens (Human)) | BDBM50247595 (CHEMBL4064397) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
National Health Research Institutes Curated by ChEMBL | Assay Description Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-induced CXCR4+ cell migration pre-incubated for 10 mins before ... | J Med Chem 61: 818-833 (2018) BindingDB Entry DOI: 10.7270/Q2KH0QRM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50247595 (CHEMBL4064397) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes Curated by ChEMBL | Assay Description Inhibition of human liver microsomal CYP2D6 | J Med Chem 61: 818-833 (2018) BindingDB Entry DOI: 10.7270/Q2KH0QRM | |||||||||||
More data for this Ligand-Target Pair |