BDBM50033651 1N-[10-hydroxy-4-methyl-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::CHEMBL110238

SMILES: CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O)C=CC4=O)ccc5O

InChI Key: InChIKey=JOJXGDIGJKCTPG-RFTKNZGOSA-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 = 50033651   

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 opioid receptor (CALF)	BDBM50033651 (1N-[10-hydroxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...) Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O)C=CC4=O)ccc5O |w:17.20,c:31,TLB:13:12:8.9.10:1.3.2,THB:0:1:12:8.9.10,7:8:12:1.3.2| Show InChI InChI=1S/C26H23N3O6/c1-28-13-12-25-22-16-5-8-18(30)23(22)35-24(25)19(31)10-11-26(25,20(28)14-16)27-21(32)9-4-15-2-6-17(7-3-15)29(33)34/h2-11,20,24,30H,12-14H2,1H3,(H,27,32)/t20?,24-,25?,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	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))	BDBM50033651 (1N-[10-hydroxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...) Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O)C=CC4=O)ccc5O |w:17.20,c:31,TLB:13:12:8.9.10:1.3.2,THB:0:1:12:8.9.10,7:8:12:1.3.2| Show InChI InChI=1S/C26H23N3O6/c1-28-13-12-25-22-16-5-8-18(30)23(22)35-24(25)19(31)10-11-26(25,20(28)14-16)27-21(32)9-4-15-2-6-17(7-3-15)29(33)34/h2-11,20,24,30H,12-14H2,1H3,(H,27,32)/t20?,24-,25?,26+/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	4.5	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50033651 (1N-[10-hydroxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...) Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O)C=CC4=O)ccc5O |w:17.20,c:31,TLB:13:12:8.9.10:1.3.2,THB:0:1:12:8.9.10,7:8:12:1.3.2| Show InChI InChI=1S/C26H23N3O6/c1-28-13-12-25-22-16-5-8-18(30)23(22)35-24(25)19(31)10-11-26(25,20(28)14-16)27-21(32)9-4-15-2-6-17(7-3-15)29(33)34/h2-11,20,24,30H,12-14H2,1H3,(H,27,32)/t20?,24-,25?,26+/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	4.40	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