BDBM50340707 CHEMBL1762371

SMILES: CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CN(CCCCCCCCCN1CN(c3ccccc3)C3(CCN(CC3)[C@@H]3CC[C@@H](CC3)C(C)C)C1=O)C2=O)c1ccccc1

InChI Key: InChIKey=IVBLWRFBFZGLIU-YALBIVEQSA-N

Data: 1 IC50

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 1 hit for monomerid = 50340707   

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))	BDBM50340707 (CHEMBL1762371) Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CN(CCCCCCCCCN1CN(c3ccccc3)C3(CCN(CC3)[C@@H]3CC[C@@H](CC3)C(C)C)C1=O)C2=O)c1ccccc1 |r,wU:42.45,45.52,6.9,3.2,(-6.97,3.8,;-6.2,2.46,;-6.98,1.13,;-4.66,2.46,;-3.89,3.78,;-2.35,3.78,;-1.59,2.44,;-2.37,1.11,;-3.91,1.12,;-.05,2.43,;.71,1.08,;2.24,1.07,;3.03,2.39,;2.27,3.74,;.73,3.75,;3.8,1.06,;5.3,1.37,;5.46,2.9,;6.8,3.67,;8.13,2.89,;9.46,3.66,;10.8,2.88,;12.13,3.65,;13.47,2.88,;14.8,3.66,;16.13,2.89,;17.47,3.67,;18.8,2.9,;18.97,1.37,;20.47,1.06,;21.09,-.34,;22.63,-.5,;23.26,-1.9,;22.36,-3.15,;20.82,-2.99,;20.19,-1.58,;21.23,2.39,;22.02,1.07,;23.55,1.08,;24.31,2.43,;23.54,3.75,;21.99,3.74,;25.85,2.44,;26.63,1.11,;28.17,1.12,;28.93,2.46,;28.15,3.78,;26.61,3.78,;30.47,2.46,;31.23,3.8,;31.24,1.13,;20.2,3.53,;20.52,5.03,;4.06,3.53,;3.75,5.03,;3.17,-.34,;1.64,-.5,;1,-1.9,;1.91,-3.15,;3.45,-2.99,;4.07,-1.58,)| Show InChI InChI=1S/C53H82N6O2/c1-42(2)44-22-26-46(27-23-44)54-36-30-52(31-37-54)50(60)56(40-58(52)48-18-12-10-13-19-48)34-16-8-6-5-7-9-17-35-57-41-59(49-20-14-11-15-21-49)53(51(57)61)32-38-55(39-33-53)47-28-24-45(25-29-47)43(3)4/h10-15,18-21,42-47H,5-9,16-17,22-41H2,1-4H3/t44-,45-,46+,47+	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	25.2	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanit£ Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting				Eur J Med Chem 46: 1207-21 (2011) Article DOI: 10.1016/j.ejmech.2011.01.040 BindingDB Entry DOI: 10.7270/Q2NK3FBC
					More data for this Ligand-Target Pair