BDBM50048109 CHEMBL3309513

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](CCO)C1)ccc3O

InChI Key: InChIKey=WWJMVAVKLZNBNB-ILEQVIIVSA-N

Data: 3 KI

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 3 hits for monomerid = 50048109   

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))	BDBM50048109 (CHEMBL3309513) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](CCO)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6| Show InChI InChI=1S/C32H36N2O5/c35-13-10-22-14-23-16-32(38)25-15-21-8-9-24(36)28-26(21)31(32,11-12-33(25)17-20-6-7-20)29(39-28)27(23)34(30(22)37)18-19-4-2-1-3-5-19/h1-5,8-9,20,22,25,29,35-36,38H,6-7,10-18H2/t22-,25-,29+,31+,32-/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	0.430	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))	BDBM50048109 (CHEMBL3309513) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](CCO)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6| Show InChI InChI=1S/C32H36N2O5/c35-13-10-22-14-23-16-32(38)25-15-21-8-9-24(36)28-26(21)31(32,11-12-33(25)17-20-6-7-20)29(39-28)27(23)34(30(22)37)18-19-4-2-1-3-5-19/h1-5,8-9,20,22,25,29,35-36,38H,6-7,10-18H2/t22-,25-,29+,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	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))	BDBM50048109 (CHEMBL3309513) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](CCO)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6| Show InChI InChI=1S/C32H36N2O5/c35-13-10-22-14-23-16-32(38)25-15-21-8-9-24(36)28-26(21)31(32,11-12-33(25)17-20-6-7-20)29(39-28)27(23)34(30(22)37)18-19-4-2-1-3-5-19/h1-5,8-9,20,22,25,29,35-36,38H,6-7,10-18H2/t22-,25-,29+,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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