BDBM50001703 CHEMBL344420::methyl 2-[22-cyclopropylmethyl-2-hydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15(25),16,18-heptaen-16-yloxymethyl]acrylate

SMILES: COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O

InChI Key: InChIKey=CAAHFTSIXKSWPY-FSYRHIKOSA-N

Data: 4 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 4 hits for monomerid = 50001703   

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-type opioid receptor (GUINEA PIG)	BDBM50001703 (CHEMBL344420 | methyl 2-[22-cyclopropylmethyl-2-hy...) Show SMILES COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O Show InChI InChI=1S/C31H32N2O5/c1-17(29(34)36-2)16-37-23-10-9-19-13-24-31(35)14-21-20-5-3-4-6-22(20)32-26(21)28-30(31,25(19)27(23)38-28)11-12-33(24)15-18-7-8-18/h3-6,9-10,18,24,28,32,35H,1,7-8,11-16H2,2H3/t24-,28+,30+,31-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of opioid receptor mu by displacing 1 nM [3H]DAGO in guinea pig brain membrane				J Med Chem 35: 4589-94 (1993) BindingDB Entry DOI: 10.7270/Q27S7PCK
					More data for this Ligand-Target Pair
Opioid receptors; mu/kappa/delta (Homo sapiens (Human))	BDBM50001703 (CHEMBL344420 | methyl 2-[22-cyclopropylmethyl-2-hy...) Show SMILES COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O Show InChI InChI=1S/C31H32N2O5/c1-17(29(34)36-2)16-37-23-10-9-19-13-24-31(35)14-21-20-5-3-4-6-22(20)32-26(21)28-30(31,25(19)27(23)38-28)11-12-33(24)15-18-7-8-18/h3-6,9-10,18,24,28,32,35H,1,7-8,11-16H2,2H3/t24-,28+,30+,31-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of total opioid receptor by displacing 0.5 nM [3H]bremazocine in guinea pig brain membrane				J Med Chem 35: 4589-94 (1993) BindingDB Entry DOI: 10.7270/Q27S7PCK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50001703 (CHEMBL344420 | methyl 2-[22-cyclopropylmethyl-2-hy...) Show SMILES COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O Show InChI InChI=1S/C31H32N2O5/c1-17(29(34)36-2)16-37-23-10-9-19-13-24-31(35)14-21-20-5-3-4-6-22(20)32-26(21)28-30(31,25(19)27(23)38-28)11-12-33(24)15-18-7-8-18/h3-6,9-10,18,24,28,32,35H,1,7-8,11-16H2,2H3/t24-,28+,30+,31-/m1/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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Opioid receptor delta 1 by displacing 1 nM [3H]DPDPE in guinea pig brain membrane				J Med Chem 35: 4589-94 (1993) BindingDB Entry DOI: 10.7270/Q27S7PCK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50001703 (CHEMBL344420 | methyl 2-[22-cyclopropylmethyl-2-hy...) Show SMILES COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O Show InChI InChI=1S/C31H32N2O5/c1-17(29(34)36-2)16-37-23-10-9-19-13-24-31(35)14-21-20-5-3-4-6-22(20)32-26(21)28-30(31,25(19)27(23)38-28)11-12-33(24)15-18-7-8-18/h3-6,9-10,18,24,28,32,35H,1,7-8,11-16H2,2H3/t24-,28+,30+,31-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of opioid receptor kappa by displacing 0.5 nM [3H]bremazocine in guinea pig brain membrane				J Med Chem 35: 4589-94 (1993) BindingDB Entry DOI: 10.7270/Q27S7PCK
					More data for this Ligand-Target Pair