BDBM50033647 1N-[4-cyclopropylmethyl-10-hydroxy-13-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::CHEMBL108406

SMILES: C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O

InChI Key: InChIKey=RIXFPTSTMBDFAF-JHMKZUJTSA-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 = 50033647   

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)	BDBM50033647 (1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-ox...) Show SMILES C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,21:16:4.5.6:8.14.13| Show InChI InChI=1S/C30H31N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-11,19,23,34H,2-3,12-17H2,1H3,(H,31,36)/b11-6+/t23?,28-,29?,30+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.520	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50033647 (1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-ox...) Show SMILES C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,21:16:4.5.6:8.14.13| Show InChI InChI=1S/C30H31N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-11,19,23,34H,2-3,12-17H2,1H3,(H,31,36)/b11-6+/t23?,28-,29?,30+/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	11	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))	BDBM50033647 (1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-ox...) Show SMILES C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O |THB:9:8:16:4.5.6,3:4:16:8.14.13,21:16:4.5.6:8.14.13| Show InChI InChI=1S/C30H31N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-11,19,23,34H,2-3,12-17H2,1H3,(H,31,36)/b11-6+/t23?,28-,29?,30+/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	126	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