BDBM50189258 CHEMBL385448::DM6S

SMILES: C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5O

InChI Key: InChIKey=QTALQTUQMLSRSG-KBQPJGBKSA-N

Data: 4 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 4 hits for monomerid = 50189258   

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 (GUINEA PIG)	BDBM50189258 (CHEMBL385448 | DM6S) Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5O |THB:7:8:12:1.3.2,21:9:12:1.3.2| Show InChI InChI=1S/C17H21NO6S/c1-18-7-6-17-10-3-5-13(24-25(20,21)22)16(17)23-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19H,3,5-8H2,1H3,(H,20,21,22)/t10-,11+,13-,16-,17-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain				Bioorg Med Chem Lett 16: 4291-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.060 BindingDB Entry DOI: 10.7270/Q2XG9RXF
					More data for this Ligand-Target Pair
Nociceptin receptor (Cavia porcellus)	BDBM50189258 (CHEMBL385448 | DM6S) Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5O |THB:7:8:12:1.3.2,21:9:12:1.3.2| Show InChI InChI=1S/C17H21NO6S/c1-18-7-6-17-10-3-5-13(24-25(20,21)22)16(17)23-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19H,3,5-8H2,1H3,(H,20,21,22)/t10-,11+,13-,16-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain				Bioorg Med Chem Lett 16: 4291-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.060 BindingDB Entry DOI: 10.7270/Q2XG9RXF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50189258 (CHEMBL385448 | DM6S) Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5O |THB:7:8:12:1.3.2,21:9:12:1.3.2| Show InChI InChI=1S/C17H21NO6S/c1-18-7-6-17-10-3-5-13(24-25(20,21)22)16(17)23-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19H,3,5-8H2,1H3,(H,20,21,22)/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain				Bioorg Med Chem Lett 16: 4291-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.060 BindingDB Entry DOI: 10.7270/Q2XG9RXF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50189258 (CHEMBL385448 | DM6S) Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5O |THB:7:8:12:1.3.2,21:9:12:1.3.2| Show InChI InChI=1S/C17H21NO6S/c1-18-7-6-17-10-3-5-13(24-25(20,21)22)16(17)23-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19H,3,5-8H2,1H3,(H,20,21,22)/t10-,11+,13-,16-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of radiolabeled U69593 from kappa1 opioid receptor in Hartley guinea pig brain				Bioorg Med Chem Lett 16: 4291-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.060 BindingDB Entry DOI: 10.7270/Q2XG9RXF
					More data for this Ligand-Target Pair