BDBM50402785 CHEMBL2208360

SMILES: CCOc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1

InChI Key: InChIKey=BJLACMXLNVBWES-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50402785   

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))	BDBM50402785 (CHEMBL2208360) Show SMILES CCOc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:31:30:24:21.35.22,36:35:24:30.29.28| Show InChI InChI=1S/C35H42N2O2/c1-4-39-31-15-13-28(14-16-31)27-9-7-25(8-10-27)17-19-36-34(38)30-12-11-29-22-33-24(2)35(3,32(29)21-30)18-20-37(33)23-26-5-6-26/h7-16,21,24,26,33H,4-6,17-20,22-23H2,1-3H3,(H,36,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 7340-4 (2012) Article DOI: 10.1016/j.bmcl.2012.10.081 BindingDB Entry DOI: 10.7270/Q2N017Q6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50402785 (CHEMBL2208360) Show SMILES CCOc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:31:30:24:21.35.22,36:35:24:30.29.28| Show InChI InChI=1S/C35H42N2O2/c1-4-39-31-15-13-28(14-16-31)27-9-7-25(8-10-27)17-19-36-34(38)30-12-11-29-22-33-24(2)35(3,32(29)21-30)18-20-37(33)23-26-5-6-26/h7-16,21,24,26,33H,4-6,17-20,22-23H2,1-3H3,(H,36,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 7340-4 (2012) Article DOI: 10.1016/j.bmcl.2012.10.081 BindingDB Entry DOI: 10.7270/Q2N017Q6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50402785 (CHEMBL2208360) Show SMILES CCOc1ccc(cc1)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1 |TLB:31:30:24:21.35.22,36:35:24:30.29.28| Show InChI InChI=1S/C35H42N2O2/c1-4-39-31-15-13-28(14-16-31)27-9-7-25(8-10-27)17-19-36-34(38)30-12-11-29-22-33-24(2)35(3,32(29)21-30)18-20-37(33)23-26-5-6-26/h7-16,21,24,26,33H,4-6,17-20,22-23H2,1-3H3,(H,36,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting				Bioorg Med Chem Lett 22: 7340-4 (2012) Article DOI: 10.1016/j.bmcl.2012.10.081 BindingDB Entry DOI: 10.7270/Q2N017Q6
					More data for this Ligand-Target Pair