BDBM50436107 CHEMBL2397415
SMILES: CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O
InChI Key: InChIKey=JJVAPHYEOZSKJZ-JGCGQSQUSA-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)) | BDBM50436107 (CHEMBL2397415) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL MCE PC cid PC sid UniChem | Article PubMed | 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D Curated by ChEMBL | Assay Description Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cell membranes after 2 hrs by scintillation counting analysis | Bioorg Med Chem Lett 23: 3157-61 (2013) Article DOI: 10.1016/j.bmcl.2013.04.012 BindingDB Entry DOI: 10.7270/Q2348MSQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50436107 (CHEMBL2397415) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D Curated by ChEMBL | Assay Description Inhibition of CYP2D6 (unknown origin) expressed in baculovirus-infected insect cell microsomes assessed as 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-m... | Bioorg Med Chem Lett 23: 3157-61 (2013) Article DOI: 10.1016/j.bmcl.2013.04.012 BindingDB Entry DOI: 10.7270/Q2348MSQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50436107 (CHEMBL2397415) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D Curated by ChEMBL | Assay Description Inhibition of CYP2C9 (unknown origin) expressed in baculovirus-infected insect cell microsomes assessed as 7-methoxy-4-trifluoromethylcoumarin conver... | Bioorg Med Chem Lett 23: 3157-61 (2013) Article DOI: 10.1016/j.bmcl.2013.04.012 BindingDB Entry DOI: 10.7270/Q2348MSQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50436107 (CHEMBL2397415) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D Curated by ChEMBL | Assay Description Inhibition of CYP1A2 (unknown origin) expressed in baculovirus-infected insect cell microsomes assessed as 3-cyano-7-ethoxycoumarin conversion to 7-h... | Bioorg Med Chem Lett 23: 3157-61 (2013) Article DOI: 10.1016/j.bmcl.2013.04.012 BindingDB Entry DOI: 10.7270/Q2348MSQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50436107 (CHEMBL2397415) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D Curated by ChEMBL | Assay Description Inhibition of CYP2C19 (unknown origin) expressed in baculovirus-infected insect cell microsomes assessed as 3-cyano-7-ethoxycoumarin conversion to 7-... | Bioorg Med Chem Lett 23: 3157-61 (2013) Article DOI: 10.1016/j.bmcl.2013.04.012 BindingDB Entry DOI: 10.7270/Q2348MSQ | |||||||||||
More data for this Ligand-Target Pair |