BDBM50048102 CHEMBL3309508

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@H](CCO)C1)ccc3O

InChI Key: InChIKey=FFVKKZXZJVBOHH-KRYZLBBQSA-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 = 50048102   

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))	BDBM50048102 (CHEMBL3309508) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H28N2O5/c1-24-7-6-22-17-12-3-4-15(27)19(17)30-20(22)18-14(11-23(22,29)16(24)10-12)9-13(5-8-26)21(28)25(18)2/h3-4,13,16,20,26-27,29H,5-11H2,1-2H3/t13-,16-,20+,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	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method				Bioorg Med Chem 22: 4067-72 (2014) Article DOI: 10.1016/j.bmc.2014.05.065 BindingDB Entry DOI: 10.7270/Q2JM2C8P
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50048102 (CHEMBL3309508) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H28N2O5/c1-24-7-6-22-17-12-3-4-15(27)19(17)30-20(22)18-14(11-23(22,29)16(24)10-12)9-13(5-8-26)21(28)25(18)2/h3-4,13,16,20,26-27,29H,5-11H2,1-2H3/t13-,16-,20+,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	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...				Bioorg Med Chem 22: 4067-72 (2014) Article DOI: 10.1016/j.bmc.2014.05.065 BindingDB Entry DOI: 10.7270/Q2JM2C8P
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50048102 (CHEMBL3309508) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H28N2O5/c1-24-7-6-22-17-12-3-4-15(27)19(17)30-20(22)18-14(11-23(22,29)16(24)10-12)9-13(5-8-26)21(28)25(18)2/h3-4,13,16,20,26-27,29H,5-11H2,1-2H3/t13-,16-,20+,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	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...				Bioorg Med Chem 22: 4067-72 (2014) Article DOI: 10.1016/j.bmc.2014.05.065 BindingDB Entry DOI: 10.7270/Q2JM2C8P
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50048102 (CHEMBL3309508) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H28N2O5/c1-24-7-6-22-17-12-3-4-15(27)19(17)30-20(22)18-14(11-23(22,29)16(24)10-12)9-13(5-8-26)21(28)25(18)2/h3-4,13,16,20,26-27,29H,5-11H2,1-2H3/t13-,16-,20+,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	12	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonist activity at human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay				Bioorg Med Chem 22: 4067-72 (2014) Article DOI: 10.1016/j.bmc.2014.05.065 BindingDB Entry DOI: 10.7270/Q2JM2C8P
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50048102 (CHEMBL3309508) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H28N2O5/c1-24-7-6-22-17-12-3-4-15(27)19(17)30-20(22)18-14(11-23(22,29)16(24)10-12)9-13(5-8-26)21(28)25(18)2/h3-4,13,16,20,26-27,29H,5-11H2,1-2H3/t13-,16-,20+,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	163	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonist activity at human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay				Bioorg Med Chem 22: 4067-72 (2014) Article DOI: 10.1016/j.bmc.2014.05.065 BindingDB Entry DOI: 10.7270/Q2JM2C8P
					More data for this Ligand-Target Pair