BDBM50173245 1'-cyclooctylmethyl-5-fluoro-1-methylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-2-one::CHEMBL197727

SMILES: CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc12

InChI Key: InChIKey=NRNLUSZSMWQZFV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50173245   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50173245 (1'-cyclooctylmethyl-5-fluoro-1-methylspiro[2,3-dih...) Show SMILES CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc12 Show InChI InChI=1S/C22H31FN2O/c1-24-20-10-9-18(23)15-19(20)22(21(24)26)11-13-25(14-12-22)16-17-7-5-3-2-4-6-8-17/h9-10,15,17H,2-8,11-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 expressed in HEK293 cells using [3H]DDPDE radioligand				Bioorg Med Chem Lett 15: 5022-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.009 BindingDB Entry DOI: 10.7270/Q2RF5TKC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50173245 (1'-cyclooctylmethyl-5-fluoro-1-methylspiro[2,3-dih...) Show SMILES CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc12 Show InChI InChI=1S/C22H31FN2O/c1-24-20-10-9-18(23)15-19(20)22(21(24)26)11-13-25(14-12-22)16-17-7-5-3-2-4-6-8-17/h9-10,15,17H,2-8,11-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor kappa 1 expressed in HEK293 cells using 3H-U69,593 radioligand				Bioorg Med Chem Lett 15: 5022-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.009 BindingDB Entry DOI: 10.7270/Q2RF5TKC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50173245 (1'-cyclooctylmethyl-5-fluoro-1-methylspiro[2,3-dih...) Show SMILES CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc12 Show InChI InChI=1S/C22H31FN2O/c1-24-20-10-9-18(23)15-19(20)22(21(24)26)11-13-25(14-12-22)16-17-7-5-3-2-4-6-8-17/h9-10,15,17H,2-8,11-14,16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor mu 1 expressed in HEK293 cells using [3H]DAMGO radioligand				Bioorg Med Chem Lett 15: 5022-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.009 BindingDB Entry DOI: 10.7270/Q2RF5TKC
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50173245 (1'-cyclooctylmethyl-5-fluoro-1-methylspiro[2,3-dih...) Show SMILES CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc12 Show InChI InChI=1S/C22H31FN2O/c1-24-20-10-9-18(23)15-19(20)22(21(24)26)11-13-25(14-12-22)16-17-7-5-3-2-4-6-8-17/h9-10,15,17H,2-8,11-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity determined by the ability to compete with [125I]-Tyr14- nociceptin from binding to human opiate receptor-like 1 expressed in HEK293 ...				Bioorg Med Chem Lett 15: 5022-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.009 BindingDB Entry DOI: 10.7270/Q2RF5TKC
					More data for this Ligand-Target Pair