BDBM50168139 CHEMBL3800620

SMILES: [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cnc3ccccc3c1)[C@H]2C

InChI Key: InChIKey=VYECARJSDZCAQH-BQVXCWBNSA-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 = 50168139   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50168139 (CHEMBL3800620) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cnc3ccccc3c1)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2| Show InChI InChI=1S/C26H29N3O2/c1-17-24-14-18-7-8-21(30)15-22(18)26(17,2)10-12-29(24)11-9-25(31)28-20-13-19-5-3-4-6-23(19)27-16-20/h3-8,13,15-17,24,30H,9-12,14H2,1-2H3,(H,28,31)/t17-,24+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	740	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))	BDBM50168139 (CHEMBL3800620) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cnc3ccccc3c1)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2| Show InChI InChI=1S/C26H29N3O2/c1-17-24-14-18-7-8-21(30)15-22(18)26(17,2)10-12-29(24)11-9-25(31)28-20-13-19-5-3-4-6-23(19)27-16-20/h3-8,13,15-17,24,30H,9-12,14H2,1-2H3,(H,28,31)/t17-,24+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.19E+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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50168139 (CHEMBL3800620) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cnc3ccccc3c1)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2| Show InChI InChI=1S/C26H29N3O2/c1-17-24-14-18-7-8-21(30)15-22(18)26(17,2)10-12-29(24)11-9-25(31)28-20-13-19-5-3-4-6-23(19)27-16-20/h3-8,13,15-17,24,30H,9-12,14H2,1-2H3,(H,28,31)/t17-,24+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.47E+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 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