BDBM50262295 4-[(4R,7S,10S,13R)-10-(3-{[amino(iminiumyl)methyl]amino}propyl)-4-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}ethyl]carbamoyl}-13-{2-[(2S,3R)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}acetamido)-3-phenylpropanamido]-3-hydroxybutanamido]acetamido}-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecan-7-yl]butan-1-aminium::CID44578002::cyclo [Cys7, Cys10] 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]-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#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]-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=ZCRGDVZWIYXXNX-QAOCYNJESA-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)) | BDBM50262295 (4-[(4R,7S,10S,13R)-10-(3-{[amino(iminiumyl)methyl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Binding affinity to human NOP receptor | 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)) | BDBM50262295 (4-[(4R,7S,10S,13R)-10-(3-{[amino(iminiumyl)methyl]...) | 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 | 0.690 | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Agonist activity at human NOP receptor by [35S]GTPgammaS binding assay | 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 |