BDBM50033648 1N-[10-hydroxy-4,13-dimethyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL323430

SMILES: CN1CCC23c4c5O[C@@]2(C)C(=O)C=C[C@@]3(NC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1Cc4ccc5O

InChI Key: InChIKey=OQLYXAVKLPHPHZ-HVCZEULHSA-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 = 50033648   

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))	BDBM50033648 (1N-[10-hydroxy-4,13-dimethyl-14-oxo-(13R,17S)-12-o...) Show SMILES CN1CCC23c4c5O[C@@]2(C)C(=O)C=C[C@@]3(NC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1Cc4ccc5O |c:13,TLB:0:1:14:5.31.30,15:14:5.31.30:1.3.2,THB:6:5:14:1.3.2| Show InChI InChI=1S/C27H25N3O6/c1-25-21(32)11-12-27(28-22(33)10-5-16-3-7-18(8-4-16)30(34)35)20-15-17-6-9-19(31)24(36-25)23(17)26(25,27)13-14-29(20)2/h3-12,20,31H,13-15H2,1-2H3,(H,28,33)/b10-5+/t20?,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	26	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
Mu opioid receptor (CALF)	BDBM50033648 (1N-[10-hydroxy-4,13-dimethyl-14-oxo-(13R,17S)-12-o...) Show SMILES CN1CCC23c4c5O[C@@]2(C)C(=O)C=C[C@@]3(NC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1Cc4ccc5O |c:13,TLB:0:1:14:5.31.30,15:14:5.31.30:1.3.2,THB:6:5:14:1.3.2| Show InChI InChI=1S/C27H25N3O6/c1-25-21(32)11-12-27(28-22(33)10-5-16-3-7-18(8-4-16)30(34)35)20-15-17-6-9-19(31)24(36-25)23(17)26(25,27)13-14-29(20)2/h3-12,20,31H,13-15H2,1-2H3,(H,28,33)/b10-5+/t20?,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	0.800	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50033648 (1N-[10-hydroxy-4,13-dimethyl-14-oxo-(13R,17S)-12-o...) Show SMILES CN1CCC23c4c5O[C@@]2(C)C(=O)C=C[C@@]3(NC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1Cc4ccc5O |c:13,TLB:0:1:14:5.31.30,15:14:5.31.30:1.3.2,THB:6:5:14:1.3.2| Show InChI InChI=1S/C27H25N3O6/c1-25-21(32)11-12-27(28-22(33)10-5-16-3-7-18(8-4-16)30(34)35)20-15-17-6-9-19(31)24(36-25)23(17)26(25,27)13-14-29(20)2/h3-12,20,31H,13-15H2,1-2H3,(H,28,33)/b10-5+/t20?,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	184	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