BDBM50287334 1N-[4-cyclopropylmethyl-10-hydroxy-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]-2-chloroacrylamide::CHEMBL288178

SMILES: Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C(Cl)=C

InChI Key: InChIKey=MVSBLZZXOLNTIU-NGCYQRTHSA-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 = 50287334   

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))	BDBM50287334 (1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C(Cl)=C |TLB:24:23:18.4.5:7.13.12,THB:8:7:23:18.4.5,17:18:23:7.13.12| Show InChI InChI=1S/C23H25ClN2O4/c1-12(24)21(29)25-23-7-6-16(28)20-22(23)8-9-26(11-13-2-3-13)17(23)10-14-4-5-15(27)19(30-20)18(14)22/h4-5,13,17,20,27H,1-3,6-11H2,(H,25,29)/t17?,20-,22?,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for Inhibition of 9 (1nM) binding to Opioid receptor delta 1 from bovine striatal Membranes				Bioorg Med Chem Lett 6: 1563-1566 (1996) Article DOI: 10.1016/S0960-894X(96)00274-0 BindingDB Entry DOI: 10.7270/Q28P60GJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50287334 (1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C(Cl)=C |TLB:24:23:18.4.5:7.13.12,THB:8:7:23:18.4.5,17:18:23:7.13.12| Show InChI InChI=1S/C23H25ClN2O4/c1-12(24)21(29)25-23-7-6-16(28)20-22(23)8-9-26(11-13-2-3-13)17(23)10-14-4-5-15(27)19(30-20)18(14)22/h4-5,13,17,20,27H,1-3,6-11H2,(H,25,29)/t17?,20-,22?,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for Inhibition of [3H]-DPDPE (0.2 nM) binding to Opioid receptor kappa 1 from bovine striatal Membranes				Bioorg Med Chem Lett 6: 1563-1566 (1996) Article DOI: 10.1016/S0960-894X(96)00274-0 BindingDB Entry DOI: 10.7270/Q28P60GJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (CALF)	BDBM50287334 (1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C(Cl)=C |TLB:24:23:18.4.5:7.13.12,THB:8:7:23:18.4.5,17:18:23:7.13.12| Show InChI InChI=1S/C23H25ClN2O4/c1-12(24)21(29)25-23-7-6-16(28)20-22(23)8-9-26(11-13-2-3-13)17(23)10-14-4-5-15(27)19(30-20)18(14)22/h4-5,13,17,20,27H,1-3,6-11H2,(H,25,29)/t17?,20-,22?,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for Inhibition of [3H]-DAMGO (0.25 nM) binding to mu receptor from bovine striatal membranes				Bioorg Med Chem Lett 6: 1563-1566 (1996) Article DOI: 10.1016/S0960-894X(96)00274-0 BindingDB Entry DOI: 10.7270/Q28P60GJ
					More data for this Ligand-Target Pair