BDBM50262290 4-[(3S,6S,9S,12S,20S)-6-(3-{[amino(iminiumyl)methyl]amino}propyl)-20-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}ethyl]carbamoyl}-12-[(2S,3R)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}acetamido)-3-phenylpropanamido]-3-hydroxybutanamido]-9-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentaazacycloicosan-3-yl]butan-1-aminium::CID44577998::cyclo [Asp6, Lys10] N/OFQ(1-13)NH2
SMILES: [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
InChI Key: InChIKey=QRTPPIOAYQKBJN-WYNMOEERSA-P
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Nociceptin receptor (Homo sapiens (Human)) | BDBM50262290 (4-[(3S,6S,9S,12S,20S)-6-(3-{[amino(iminiumyl)methy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells | J Med Chem 51: 4385-7 (2008) Article DOI: 10.1021/jm800394v BindingDB Entry DOI: 10.7270/Q2B56KN8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nociceptin receptor (Homo sapiens (Human)) | BDBM50262290 (4-[(3S,6S,9S,12S,20S)-6-(3-{[amino(iminiumyl)methy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 4.12 | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 51: 4385-7 (2008) Article DOI: 10.1021/jm800394v BindingDB Entry DOI: 10.7270/Q2B56KN8 | |||||||||||
More data for this Ligand-Target Pair |