BDBM50372277 CHEMBL403807

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O

InChI Key: InChIKey=DWZCXYUZSXSRCU-OQYWAUBWSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50372277   

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))	BDBM50372277 (CHEMBL403807) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O Show InChI InChI=1S/C45H72N14O8/c1-4-27(3)37(43(67)55-31(38(47)62)15-9-10-22-46)59-40(64)33(17-12-24-53-45(50)51)56-41(65)35(26-29-18-20-30(60)21-19-29)58-42(66)34(25-28-13-7-6-8-14-28)57-39(63)32(54-36(61)5-2)16-11-23-52-44(48)49/h6-8,13-14,18-21,27,31-35,37,60H,4-5,9-12,15-17,22-26,46H2,1-3H3,(H2,47,62)(H,54,61)(H,55,67)(H,56,65)(H,57,63)(H,58,66)(H,59,64)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32-,33-,34-,35-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	27.6	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Activity at human ORL1-Galpha fusion receptor in COS7 cells assessed as stimulation of [35S]GTP-gamma-S binding				Bioorg Med Chem 16: 2635-44 (2008) Article DOI: 10.1016/j.bmc.2007.11.043 BindingDB Entry DOI: 10.7270/Q2416XW9
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50372277 (CHEMBL403807) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O Show InChI InChI=1S/C45H72N14O8/c1-4-27(3)37(43(67)55-31(38(47)62)15-9-10-22-46)59-40(64)33(17-12-24-53-45(50)51)56-41(65)35(26-29-18-20-30(60)21-19-29)58-42(66)34(25-28-13-7-6-8-14-28)57-39(63)32(54-36(61)5-2)16-11-23-52-44(48)49/h6-8,13-14,18-21,27,31-35,37,60H,4-5,9-12,15-17,22-26,46H2,1-3H3,(H2,47,62)(H,54,61)(H,55,67)(H,56,65)(H,57,63)(H,58,66)(H,59,64)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32-,33-,34-,35-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human ORL1-Galpha fusion receptor in COS7 cells				Bioorg Med Chem 16: 2635-44 (2008) Article DOI: 10.1016/j.bmc.2007.11.043 BindingDB Entry DOI: 10.7270/Q2416XW9
					More data for this Ligand-Target Pair