BDBM50130603 13,22-dimethyl-2-[3-phenyl-(E)-2-propenyl]-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-16-ol::CHEMBL110461

SMILES: CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(C\C=C\c2ccccc2)C1Cc4ccc5O

InChI Key: InChIKey=VHAISVIZOZORLQ-TYSZLRMISA-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 = 50130603   

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))	BDBM50130603 (13,22-dimethyl-2-[3-phenyl-(E)-2-propenyl]-14-oxa-...) Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(C\C=C\c2ccccc2)C1Cc4ccc5O |TLB:33:32:20:1.3.2,6:5:20:1.3.2| Show InChI InChI=1S/C33H32N2O2/c1-31-30-24(23-12-6-7-13-25(23)34-30)20-32(16-8-11-21-9-4-3-5-10-21)27-19-22-14-15-26(36)29(37-31)28(22)33(31,32)17-18-35(27)2/h3-15,27,34,36H,16-20H2,1-2H3/b11-8+/t27?,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Binding affinity for human Opioid receptor delta 1 transfected into chinese hamster ovary cells by displacing [3H]CI-DPDPE radioligand				J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50130603 (13,22-dimethyl-2-[3-phenyl-(E)-2-propenyl]-14-oxa-...) Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(C\C=C\c2ccccc2)C1Cc4ccc5O |TLB:33:32:20:1.3.2,6:5:20:1.3.2| Show InChI InChI=1S/C33H32N2O2/c1-31-30-24(23-12-6-7-13-25(23)34-30)20-32(16-8-11-21-9-4-3-5-10-21)27-19-22-14-15-26(36)29(37-31)28(22)33(31,32)17-18-35(27)2/h3-15,27,34,36H,16-20H2,1-2H3/b11-8+/t27?,31-,32-,33-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Binding affinity for human Opioid receptor mu 1 transfected into chinese hamster ovary cells by displacing [3H]DAMGO radioligand				J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50130603 (13,22-dimethyl-2-[3-phenyl-(E)-2-propenyl]-14-oxa-...) Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(C\C=C\c2ccccc2)C1Cc4ccc5O |TLB:33:32:20:1.3.2,6:5:20:1.3.2| Show InChI InChI=1S/C33H32N2O2/c1-31-30-24(23-12-6-7-13-25(23)34-30)20-32(16-8-11-21-9-4-3-5-10-21)27-19-22-14-15-26(36)29(37-31)28(22)33(31,32)17-18-35(27)2/h3-15,27,34,36H,16-20H2,1-2H3/b11-8+/t27?,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Binding affinity in recombinant human Opioid receptor kappa 1 transfected into chinese hamster ovary cells by displacing [3H]U-69593 radioligand				J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50130603 (13,22-dimethyl-2-[3-phenyl-(E)-2-propenyl]-14-oxa-...) Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(C\C=C\c2ccccc2)C1Cc4ccc5O |TLB:33:32:20:1.3.2,6:5:20:1.3.2| Show InChI InChI=1S/C33H32N2O2/c1-31-30-24(23-12-6-7-13-25(23)34-30)20-32(16-8-11-21-9-4-3-5-10-21)27-19-22-14-15-26(36)29(37-31)28(22)33(31,32)17-18-35(27)2/h3-15,27,34,36H,16-20H2,1-2H3/b11-8+/t27?,31-,32-,33-/m0/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	22	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonistic activity towards Opioid receptor delta 1				J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50130603 (13,22-dimethyl-2-[3-phenyl-(E)-2-propenyl]-14-oxa-...) Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(C\C=C\c2ccccc2)C1Cc4ccc5O |TLB:33:32:20:1.3.2,6:5:20:1.3.2| Show InChI InChI=1S/C33H32N2O2/c1-31-30-24(23-12-6-7-13-25(23)34-30)20-32(16-8-11-21-9-4-3-5-10-21)27-19-22-14-15-26(36)29(37-31)28(22)33(31,32)17-18-35(27)2/h3-15,27,34,36H,16-20H2,1-2H3/b11-8+/t27?,31-,32-,33-/m0/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	804	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Effective concentration agonistic activity towards Opioid receptor mu 1				J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50130603 (13,22-dimethyl-2-[3-phenyl-(E)-2-propenyl]-14-oxa-...) Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(C\C=C\c2ccccc2)C1Cc4ccc5O |TLB:33:32:20:1.3.2,6:5:20:1.3.2| Show InChI InChI=1S/C33H32N2O2/c1-31-30-24(23-12-6-7-13-25(23)34-30)20-32(16-8-11-21-9-4-3-5-10-21)27-19-22-14-15-26(36)29(37-31)28(22)33(31,32)17-18-35(27)2/h3-15,27,34,36H,16-20H2,1-2H3/b11-8+/t27?,31-,32-,33-/m0/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	2.05E+3	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonistic activity towards Opioid receptor kappa 1				J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD
					More data for this Ligand-Target Pair