BDBM50387507 CHEMBL2059852
SMILES: O=C(N[C@@H](Cc1ccc2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O
InChI Key: InChIKey=UWQDLKXMRMJIJF-HKBQPEDESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50387507 (CHEMBL2059852) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 250 | 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 cell membrane after 2 hrs | Bioorg Med Chem Lett 22: 4723-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.074 BindingDB Entry DOI: 10.7270/Q2SN0B1W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50387507 (CHEMBL2059852) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.30E+3 | 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 expressed in baculo-virus infected insect microsomes using benzyloxyresorufin as substrate after 45 mins by fl... | Bioorg Med Chem Lett 22: 4723-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.074 BindingDB Entry DOI: 10.7270/Q2SN0B1W | |||||||||||
More data for this Ligand-Target Pair |