BDBM50083668 7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol::CHEMBL431074

SMILES: CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)ccc5O

InChI Key: InChIKey=OCIKRCLBDNYUFW-UHFFFAOYSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50083668   

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))	BDBM50083668 (7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)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/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50083668 (7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)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/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	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 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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50083668 (7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)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/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	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 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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50083668 (7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)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/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	72	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50083668 (7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)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/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	96	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50083668 (7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...) Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)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/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.73E+3	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