BDBM50060848 CHEMBL3394751

SMILES: COc1ccc(CCNC[C@@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1OC

InChI Key: InChIKey=GAVAKABTULYXGB-JGCGQSQUSA-N

Data: 2 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 2 hits for monomerid = 50060848   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50060848 (CHEMBL3394751) Show SMILES COc1ccc(CCNC[C@@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1OC |r| Show InChI InChI=1S/C38H46N4O4S/c1-45-34-15-14-29(25-35(34)46-2)16-20-39-26-32(43)27-41-28-42(31-10-4-3-5-11-31)38(37(41)44)18-22-40(23-19-38)21-17-30-9-6-7-12-33(30)36-13-8-24-47-36/h3-15,24-25,32,39,43H,16-23,26-28H2,1-2H3/t32-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
West Chester University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 25: 602-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.015 BindingDB Entry DOI: 10.7270/Q23B61S0
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50060848 (CHEMBL3394751) Show SMILES COc1ccc(CCNC[C@@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1OC |r| Show InChI InChI=1S/C38H46N4O4S/c1-45-34-15-14-29(25-35(34)46-2)16-20-39-26-32(43)27-41-28-42(31-10-4-3-5-11-31)38(37(41)44)18-22-40(23-19-38)21-17-30-9-6-7-12-33(30)36-13-8-24-47-36/h3-15,24-25,32,39,43H,16-23,26-28H2,1-2H3/t32-/m1/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	3.90	n/a	n/a	n/a	n/a	n/a	n/a
West Chester University Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 25: 602-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.015 BindingDB Entry DOI: 10.7270/Q23B61S0
					More data for this Ligand-Target Pair