BDBM50011516 CHEMBL3262546

SMILES: CCC1C(=O)N(C2CCN(CC2)C2CCCc3ccccc23)c2ccccc12

InChI Key: InChIKey=AJLIYNOOTFOYSN-UHFFFAOYSA-N

Data: 3 KI  2 EC50

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 5 hits for monomerid = 50011516   

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))	BDBM50011516 (CHEMBL3262546) Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCCc3ccccc23)c2ccccc12 Show InChI InChI=1S/C25H30N2O/c1-2-20-22-11-5-6-12-24(22)27(25(20)28)19-14-16-26(17-15-19)23-13-7-9-18-8-3-4-10-21(18)23/h3-6,8,10-12,19-20,23H,2,7,9,13-17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astraea Therapeutics, LLC. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor transfected in CHO cell membranes after 60 mins				Bioorg Med Chem 22: 2508-16 (2014) Article DOI: 10.1016/j.bmc.2014.02.047 BindingDB Entry DOI: 10.7270/Q2VH5QC2
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50011516 (CHEMBL3262546) Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCCc3ccccc23)c2ccccc12 Show InChI InChI=1S/C25H30N2O/c1-2-20-22-11-5-6-12-24(22)27(25(20)28)19-14-16-26(17-15-19)23-13-7-9-18-8-3-4-10-21(18)23/h3-6,8,10-12,19-20,23H,2,7,9,13-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astraea Therapeutics, LLC. Curated by ChEMBL					Assay Description Displacement of [3H]N/OFQ from human nociceptin opioid receptor transfected in CHO cell membranes				Bioorg Med Chem 22: 2508-16 (2014) Article DOI: 10.1016/j.bmc.2014.02.047 BindingDB Entry DOI: 10.7270/Q2VH5QC2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50011516 (CHEMBL3262546) Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCCc3ccccc23)c2ccccc12 Show InChI InChI=1S/C25H30N2O/c1-2-20-22-11-5-6-12-24(22)27(25(20)28)19-14-16-26(17-15-19)23-13-7-9-18-8-3-4-10-21(18)23/h3-6,8,10-12,19-20,23H,2,7,9,13-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astraea Therapeutics, LLC. Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor transfected in CHO cell membranes after 60 mins				Bioorg Med Chem 22: 2508-16 (2014) Article DOI: 10.1016/j.bmc.2014.02.047 BindingDB Entry DOI: 10.7270/Q2VH5QC2
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50011516 (CHEMBL3262546) Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCCc3ccccc23)c2ccccc12 Show InChI InChI=1S/C25H30N2O/c1-2-20-22-11-5-6-12-24(22)27(25(20)28)19-14-16-26(17-15-19)23-13-7-9-18-8-3-4-10-21(18)23/h3-6,8,10-12,19-20,23H,2,7,9,13-17H2,1H3	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	n/a	n/a	50	n/a	n/a	n/a	n/a
Astraea Therapeutics, LLC. Curated by ChEMBL					Assay Description Agonist activity at human nociceptin opioid receptor transfected in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding after 60 min...				Bioorg Med Chem 22: 2508-16 (2014) Article DOI: 10.1016/j.bmc.2014.02.047 BindingDB Entry DOI: 10.7270/Q2VH5QC2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50011516 (CHEMBL3262546) Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCCc3ccccc23)c2ccccc12 Show InChI InChI=1S/C25H30N2O/c1-2-20-22-11-5-6-12-24(22)27(25(20)28)19-14-16-26(17-15-19)23-13-7-9-18-8-3-4-10-21(18)23/h3-6,8,10-12,19-20,23H,2,7,9,13-17H2,1H3	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	n/a	n/a	29	n/a	n/a	n/a	n/a
Astraea Therapeutics, LLC. Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor transfected in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding after 60 mins by sci...				Bioorg Med Chem 22: 2508-16 (2014) Article DOI: 10.1016/j.bmc.2014.02.047 BindingDB Entry DOI: 10.7270/Q2VH5QC2
					More data for this Ligand-Target Pair