BDBM50221413 (1S,2S,13R,21R)-7-fluoro-22-methyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0^{1,13}.0^{2,21}.0^{4,12}.0^{5,10}.0^{19,25}]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaene-2,16-diol::CHEMBL248839

SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(F)cc12)ccc5O

InChI Key: InChIKey=TUMHJCRNWJSMQK-LMDOGRNLSA-N

Data: 3 KI  2 EC50

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 5 hits for monomerid = 50221413   

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))	BDBM50221413 ((1S,2S,13R,21R)-7-fluoro-22-methyl-14-oxa-11,22-di...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(F)cc12)ccc5O Show InChI InChI=1S/C23H21FN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]p-Cl-DPDPE from delta opioid receptor				Bioorg Med Chem Lett 17: 5916-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.098 BindingDB Entry DOI: 10.7270/Q2RV0NFR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50221413 ((1S,2S,13R,21R)-7-fluoro-22-methyl-14-oxa-11,22-di...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(F)cc12)ccc5O Show InChI InChI=1S/C23H21FN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Activity at mu opioid receptor assessed as stimulation of [35S]GTP-gamma-S binding				Bioorg Med Chem Lett 17: 5916-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.098 BindingDB Entry DOI: 10.7270/Q2RV0NFR
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50221413 ((1S,2S,13R,21R)-7-fluoro-22-methyl-14-oxa-11,22-di...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(F)cc12)ccc5O Show InChI InChI=1S/C23H21FN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from cloned kappa opioid receptor				Bioorg Med Chem Lett 17: 5916-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.098 BindingDB Entry DOI: 10.7270/Q2RV0NFR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50221413 ((1S,2S,13R,21R)-7-fluoro-22-methyl-14-oxa-11,22-di...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(F)cc12)ccc5O Show InChI InChI=1S/C23H21FN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Activity at mu opioid receptor assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem Lett 17: 5916-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.098 BindingDB Entry DOI: 10.7270/Q2RV0NFR
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50221413 ((1S,2S,13R,21R)-7-fluoro-22-methyl-14-oxa-11,22-di...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(F)cc12)ccc5O Show InChI InChI=1S/C23H21FN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Activity at delta opioid receptor assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem Lett 17: 5916-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.098 BindingDB Entry DOI: 10.7270/Q2RV0NFR
					More data for this Ligand-Target Pair