BDBM50060846 CHEMBL3394750

SMILES: Cc1ccccc1CNC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O

InChI Key: InChIKey=QANXQUIDCAPTKB-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 = 50060846   

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))	BDBM50060846 (CHEMBL3394750) Show SMILES Cc1ccccc1CNC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r| Show InChI InChI=1S/C36H42N4O2S/c1-28-10-5-6-12-30(28)24-37-25-32(41)26-39-27-40(31-13-3-2-4-14-31)36(35(39)42)18-21-38(22-19-36)20-17-29-11-7-8-15-33(29)34-16-9-23-43-34/h2-16,23,32,37,41H,17-22,24-27H2,1H3/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	103	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))	BDBM50060846 (CHEMBL3394750) Show SMILES Cc1ccccc1CNC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r| Show InChI InChI=1S/C36H42N4O2S/c1-28-10-5-6-12-30(28)24-37-25-32(41)26-39-27-40(31-13-3-2-4-14-31)36(35(39)42)18-21-38(22-19-36)20-17-29-11-7-8-15-33(29)34-16-9-23-43-34/h2-16,23,32,37,41H,17-22,24-27H2,1H3/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	26	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