BDBM50060904 CHEMBL3394742

SMILES: CCCCN(C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O)Cc1ccccc1

InChI Key: InChIKey=CNCKCYYECLIANE-UMSFTDKQSA-N

Data: 3 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 3 hits for monomerid = 50060904   

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))	BDBM50060904 (CHEMBL3394742) Show SMILES CCCCN(C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O)Cc1ccccc1 |r| Show InChI InChI=1S/C36H53FN4O2/c1-2-3-22-39(26-31-14-10-7-11-15-31)27-34(42)28-40-29-41(33-18-16-32(37)17-19-33)36(35(40)43)20-23-38(24-21-36)25-30-12-8-5-4-6-9-13-30/h7,10-11,14-19,30,34,42H,2-6,8-9,12-13,20-29H2,1H3/t34-/m0/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	1.19E+3	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))	BDBM50060904 (CHEMBL3394742) Show SMILES CCCCN(C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O)Cc1ccccc1 |r| Show InChI InChI=1S/C36H53FN4O2/c1-2-3-22-39(26-31-14-10-7-11-15-31)27-34(42)28-40-29-41(33-18-16-32(37)17-19-33)36(35(40)43)20-23-38(24-21-36)25-30-12-8-5-4-6-9-13-30/h7,10-11,14-19,30,34,42H,2-6,8-9,12-13,20-29H2,1H3/t34-/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	34	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50060904 (CHEMBL3394742) Show SMILES CCCCN(C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O)Cc1ccccc1 |r| Show InChI InChI=1S/C36H53FN4O2/c1-2-3-22-39(26-31-14-10-7-11-15-31)27-34(42)28-40-29-41(33-18-16-32(37)17-19-33)36(35(40)43)20-23-38(24-21-36)25-30-12-8-5-4-6-9-13-30/h7,10-11,14-19,30,34,42H,2-6,8-9,12-13,20-29H2,1H3/t34-/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	240	n/a	n/a	n/a	n/a	n/a	n/a
West Chester University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa 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