BDBM50168136 CHEMBL3798175

SMILES: [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cccnc13)[C@H]2C

InChI Key: InChIKey=WSKHGCYGBCHSOE-UIIQVKDUSA-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 = 50168136   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50168136 (CHEMBL3798175) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cccnc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2| Show InChI InChI=1S/C26H29N3O2/c1-17-23-15-19-8-9-20(30)16-21(19)26(17,2)11-14-29(23)13-10-24(31)28-22-7-3-5-18-6-4-12-27-25(18)22/h3-9,12,16-17,23,30H,10-11,13-15H2,1-2H3,(H,28,31)/t17-,23+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Activity at human KOR expressed in EE-HEK293 cells assessed as pEC50 for effect on (-)U50,488H-induced response (Rvb = 6.2 +/- 0.04 No_unit)				Bioorg Med Chem 24: 2832-42 (2016) BindingDB Entry DOI: 10.7270/Q2VH5QR0
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50168136 (CHEMBL3798175) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cccnc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2| Show InChI InChI=1S/C26H29N3O2/c1-17-23-15-19-8-9-20(30)16-21(19)26(17,2)11-14-29(23)13-10-24(31)28-22-7-3-5-18-6-4-12-27-25(18)22/h3-9,12,16-17,23,30H,10-11,13-15H2,1-2H3,(H,28,31)/t17-,23+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting				Bioorg Med Chem 24: 2832-42 (2016) BindingDB Entry DOI: 10.7270/Q2VH5QR0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50168136 (CHEMBL3798175) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cccnc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2| Show InChI InChI=1S/C26H29N3O2/c1-17-23-15-19-8-9-20(30)16-21(19)26(17,2)11-14-29(23)13-10-24(31)28-22-7-3-5-18-6-4-12-27-25(18)22/h3-9,12,16-17,23,30H,10-11,13-15H2,1-2H3,(H,28,31)/t17-,23+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-DPN from rat MOR expressed in EE-HEK293 cell membranes by liquid scintillation counting				Bioorg Med Chem 24: 2832-42 (2016) BindingDB Entry DOI: 10.7270/Q2VH5QR0
					More data for this Ligand-Target Pair