BDBM50400098 CHEMBL2178422
SMILES: N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F
InChI Key: InChIKey=KRNAOFGYEFKHPB-ANJVHQHFSA-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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Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50400098 (CHEMBL2178422) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development Curated by ChEMBL | Assay Description Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells after 2 hrs by gamma scintillation counter analysis | J Med Chem 55: 10644-51 (2012) Article DOI: 10.1021/jm3013147 BindingDB Entry DOI: 10.7270/Q2M046M8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50400098 (CHEMBL2178422) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development Curated by ChEMBL | Assay Description Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production preincubated for 15 mins prior ... | J Med Chem 55: 10644-51 (2012) Article DOI: 10.1021/jm3013147 BindingDB Entry DOI: 10.7270/Q2M046M8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50400098 (CHEMBL2178422) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP3A4 using benzoylresorufin as substrate after 45 mins by fluorescence assay | J Med Chem 55: 10644-51 (2012) Article DOI: 10.1021/jm3013147 BindingDB Entry DOI: 10.7270/Q2M046M8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50400098 (CHEMBL2178422) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP3A4 using 7-benzyloxy-4-trifluoromethylcoumarin as substrate after 20 mins by fluorescence assay | J Med Chem 55: 10644-51 (2012) Article DOI: 10.1021/jm3013147 BindingDB Entry DOI: 10.7270/Q2M046M8 | |||||||||||
More data for this Ligand-Target Pair |