BDBM50012155 CHEMBL3264442

SMILES: CC1CN(CCCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NCC1CC1

InChI Key: InChIKey=IIUGSDSXFCBDCZ-NXMUZTMKSA-N

Data: 3 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 3 hits for monomerid = 50012155   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50012155 (CHEMBL3264442) Show SMILES CC1CN(CCCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NCC1CC1 |r,THB:0:1:18:16.15.14,4:3:18:16.15.14| Show InChI InChI=1S/C28H38N2O/c1-21-20-30(14-6-9-22-7-3-2-4-8-22)26-16-25(29-19-23-12-13-23)17-28(21,18-26)24-10-5-11-27(31)15-24/h2-5,7-8,10-11,15,21,23,25-26,29,31H,6,9,12-14,16-20H2,1H3/t21?,25-,26?,28?/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	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP[gammaS] binding				Bioorg Med Chem Lett 24: 2021-32 (2014) Article DOI: 10.1016/j.bmcl.2014.03.040 BindingDB Entry DOI: 10.7270/Q2222WBX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50012155 (CHEMBL3264442) Show SMILES CC1CN(CCCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NCC1CC1 |r,THB:0:1:18:16.15.14,4:3:18:16.15.14| Show InChI InChI=1S/C28H38N2O/c1-21-20-30(14-6-9-22-7-3-2-4-8-22)26-16-25(29-19-23-12-13-23)17-28(21,18-26)24-10-5-11-27(31)15-24/h2-5,7-8,10-11,15,21,23,25-26,29,31H,6,9,12-14,16-20H2,1H3/t21?,25-,26?,28?/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	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human cloned delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP[gammaS] binding				Bioorg Med Chem Lett 24: 2021-32 (2014) Article DOI: 10.1016/j.bmcl.2014.03.040 BindingDB Entry DOI: 10.7270/Q2222WBX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50012155 (CHEMBL3264442) Show SMILES CC1CN(CCCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NCC1CC1 |r,THB:0:1:18:16.15.14,4:3:18:16.15.14| Show InChI InChI=1S/C28H38N2O/c1-21-20-30(14-6-9-22-7-3-2-4-8-22)26-16-25(29-19-23-12-13-23)17-28(21,18-26)24-10-5-11-27(31)15-24/h2-5,7-8,10-11,15,21,23,25-26,29,31H,6,9,12-14,16-20H2,1H3/t21?,25-,26?,28?/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	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at human cloned mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP[gammaS] binding				Bioorg Med Chem Lett 24: 2021-32 (2014) Article DOI: 10.1016/j.bmcl.2014.03.040 BindingDB Entry DOI: 10.7270/Q2222WBX
					More data for this Ligand-Target Pair