BDBM50083672 18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaene-2,12-diol::CHEMBL112035

SMILES: CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O

InChI Key: InChIKey=VGCJASRZUDMBDW-UHFFFAOYSA-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 = 50083672   

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 (Homo sapiens (Human))	BDBM50083672 (18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50083672 (18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity towards human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand.				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50083672 (18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonistic activity against human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50083672 (18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonistic activity against human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50083672 (18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10| Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonistic activity against human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand				Bioorg Med Chem Lett 9: 3375-80 (2000) BindingDB Entry DOI: 10.7270/Q2XP7440
					More data for this Ligand-Target Pair