BDBM50001675 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-heptaene-2,16-diol::CHEMBL285563

SMILES: Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O

InChI Key: InChIKey=QWKWAYNQLADTEK-ZLDJGOMFSA-N

Data: 3 KI  1 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 = 50001675   

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))	BDBM50001675 (14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04...) Show SMILES Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:25:7.9.8,13:14:25:7.9.8| Show InChI InChI=1S/C22H20N2O3/c25-15-6-5-11-9-16-22(26)10-13-12-3-1-2-4-14(12)24-18(13)20-21(22,7-8-23-16)17(11)19(15)27-20/h1-6,16,20,23-26H,7-10H2/t16?,20-,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The compound was evaluated for binding affinity against Opioid receptor delta 1 in guinea pig brain membrane using [3H]- DPDPE as ligand				J Med Chem 35: 4325-9 (1992) BindingDB Entry DOI: 10.7270/Q2DF6RTZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50001675 (14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04...) Show SMILES Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:25:7.9.8,13:14:25:7.9.8| Show InChI InChI=1S/C22H20N2O3/c25-15-6-5-11-9-16-22(26)10-13-12-3-1-2-4-14(12)24-18(13)20-21(22,7-8-23-16)17(11)19(15)27-20/h1-6,16,20,23-26H,7-10H2/t16?,20-,21-,22+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The compound was evaluated for binding affinity against Opioid receptor mu 1 in guinea pig brain membranes				J Med Chem 35: 4325-9 (1992) BindingDB Entry DOI: 10.7270/Q2DF6RTZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50001675 (14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04...) Show SMILES Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:25:7.9.8,13:14:25:7.9.8| Show InChI InChI=1S/C22H20N2O3/c25-15-6-5-11-9-16-22(26)10-13-12-3-1-2-4-14(12)24-18(13)20-21(22,7-8-23-16)17(11)19(15)27-20/h1-6,16,20,23-26H,7-10H2/t16?,20-,21-,22+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The compound was evaluated for binding affinity against the opioid receptor kappa in guinea pig brain membranes using [3H]- U-69,593				J Med Chem 35: 4325-9 (1992) BindingDB Entry DOI: 10.7270/Q2DF6RTZ
					More data for this Ligand-Target Pair
Opioid receptor (Mus musculus (Mouse)-MOUSE)	BDBM50001675 (14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04...) Show SMILES Oc1ccc2CC3NCC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:25:7.9.8,13:14:25:7.9.8| Show InChI InChI=1S/C22H20N2O3/c25-15-6-5-11-9-16-22(26)10-13-12-3-1-2-4-14(12)24-18(13)20-21(22,7-8-23-16)17(11)19(15)27-20/h1-6,16,20,23-26H,7-10H2/t16?,20-,21-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Compound was tested for agonistic activity against the opioid receptor in electrically stimulated mouse vas deference				J Med Chem 35: 4325-9 (1992) BindingDB Entry DOI: 10.7270/Q2DF6RTZ
					More data for this Ligand-Target Pair