BDBM50011511 CHEMBL3262553

SMILES: CCC1C(=O)N(C2CCN(CCCCc3ccc(cc3)-c3ccccc3)CC2)c2ccccc12

InChI Key: InChIKey=ATGGZTWGPMWHPU-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50011511   

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))	BDBM50011511 (CHEMBL3262553) Show SMILES CCC1C(=O)N(C2CCN(CCCCc3ccc(cc3)-c3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C31H36N2O/c1-2-28-29-13-6-7-14-30(29)33(31(28)34)27-19-22-32(23-20-27)21-9-8-10-24-15-17-26(18-16-24)25-11-4-3-5-12-25/h3-7,11-18,27-28H,2,8-10,19-23H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	168	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50011511 (CHEMBL3262553) Show SMILES CCC1C(=O)N(C2CCN(CCCCc3ccc(cc3)-c3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C31H36N2O/c1-2-28-29-13-6-7-14-30(29)33(31(28)34)27-19-22-32(23-20-27)21-9-8-10-24-15-17-26(18-16-24)25-11-4-3-5-12-25/h3-7,11-18,27-28H,2,8-10,19-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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))	BDBM50011511 (CHEMBL3262553) Show SMILES CCC1C(=O)N(C2CCN(CCCCc3ccc(cc3)-c3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C31H36N2O/c1-2-28-29-13-6-7-14-30(29)33(31(28)34)27-19-22-32(23-20-27)21-9-8-10-24-15-17-26(18-16-24)25-11-4-3-5-12-25/h3-7,11-18,27-28H,2,8-10,19-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50011511 (CHEMBL3262553) Show SMILES CCC1C(=O)N(C2CCN(CCCCc3ccc(cc3)-c3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C31H36N2O/c1-2-28-29-13-6-7-14-30(29)33(31(28)34)27-19-22-32(23-20-27)21-9-8-10-24-15-17-26(18-16-24)25-11-4-3-5-12-25/h3-7,11-18,27-28H,2,8-10,19-23H2,1H3	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	>1.00E+4	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