BDBM50033654 1N-[10-methoxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL106876

SMILES: COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=VSIGMWSIMODNPX-WXYYCSAXSA-N

Data: 3 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 3 hits for monomerid = 50033654   

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))	BDBM50033654 (1N-[10-methoxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...) Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:22:21:16.5.6:8.11.10,THB:9:8:21:16.5.6,15:16:21:8.11.10| Show InChI InChI=1S/C27H27N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-10,21,25H,11-15H2,1-2H3,(H,28,32)/b10-5+/t21?,25-,26?,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Binding affinity against delta opioid receptor from calf frontal cortex.				J Med Chem 36: 3154-60 (1993) BindingDB Entry DOI: 10.7270/Q2K64H31
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50033654 (1N-[10-methoxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...) Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:22:21:16.5.6:8.11.10,THB:9:8:21:16.5.6,15:16:21:8.11.10| Show InChI InChI=1S/C27H27N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-10,21,25H,11-15H2,1-2H3,(H,28,32)/b10-5+/t21?,25-,26?,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Binding affinity against kappa opioid receptor from calf frontal cortex.				J Med Chem 36: 3154-60 (1993) BindingDB Entry DOI: 10.7270/Q2K64H31
					More data for this Ligand-Target Pair
Mu opioid receptor (CALF)	BDBM50033654 (1N-[10-methoxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...) Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |TLB:22:21:16.5.6:8.11.10,THB:9:8:21:16.5.6,15:16:21:8.11.10| Show InChI InChI=1S/C27H27N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-10,21,25H,11-15H2,1-2H3,(H,28,32)/b10-5+/t21?,25-,26?,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Binding affinity against mu opioid receptor from calf frontal cortex.				J Med Chem 36: 3154-60 (1993) BindingDB Entry DOI: 10.7270/Q2K64H31
					More data for this Ligand-Target Pair