BDBM50420806 CHEMBL2088044

SMILES: CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc21)Cc1c(F)cccc1F

InChI Key: InChIKey=LGAFQVJAALNXTN-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50420806   

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))	BDBM50420806 (CHEMBL2088044) Show SMILES CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc21)Cc1c(F)cccc1F Show InChI InChI=1S/C23H28F2N2O2S/c1-26(2)22(28)17(14-18-19(24)4-3-5-20(18)25)15-27-10-8-23(9-11-27)21-16(6-12-29-23)7-13-30-21/h3-5,7,13,17H,6,8-12,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Agonist activity at human cloned NOP receptor expressed in CHO cell membranes after 30 mins by [35S]GTPgammaS binding assay				J Med Chem 55: 4955-67 (2012) Article DOI: 10.1021/jm201629q BindingDB Entry DOI: 10.7270/Q2TQ62SQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50420806 (CHEMBL2088044) Show SMILES CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc21)Cc1c(F)cccc1F Show InChI InChI=1S/C23H28F2N2O2S/c1-26(2)22(28)17(14-18-19(24)4-3-5-20(18)25)15-27-10-8-23(9-11-27)21-16(6-12-29-23)7-13-30-21/h3-5,7,13,17H,6,8-12,14-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned mu type opioid receptor expressed in CHO cell membranes by scintillation counter				J Med Chem 55: 4955-67 (2012) Article DOI: 10.1021/jm201629q BindingDB Entry DOI: 10.7270/Q2TQ62SQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50420806 (CHEMBL2088044) Show SMILES CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc21)Cc1c(F)cccc1F Show InChI InChI=1S/C23H28F2N2O2S/c1-26(2)22(28)17(14-18-19(24)4-3-5-20(18)25)15-27-10-8-23(9-11-27)21-16(6-12-29-23)7-13-30-21/h3-5,7,13,17H,6,8-12,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned delta type opioid receptor expressed in CHO cell membranes by scintillation counter				J Med Chem 55: 4955-67 (2012) Article DOI: 10.1021/jm201629q BindingDB Entry DOI: 10.7270/Q2TQ62SQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50420806 (CHEMBL2088044) Show SMILES CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc21)Cc1c(F)cccc1F Show InChI InChI=1S/C23H28F2N2O2S/c1-26(2)22(28)17(14-18-19(24)4-3-5-20(18)25)15-27-10-8-23(9-11-27)21-16(6-12-29-23)7-13-30-21/h3-5,7,13,17H,6,8-12,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned kappa type opioid receptor expressed in CHO cell membranes by scintillation counter				J Med Chem 55: 4955-67 (2012) Article DOI: 10.1021/jm201629q BindingDB Entry DOI: 10.7270/Q2TQ62SQ
					More data for this Ligand-Target Pair