BDBM50369466 CHEMBL124028

SMILES: CC(C)C[C@@H]1CN2[C@@H](C)CN=C2N1C(C)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=FMTWNDZOVDJRKQ-RAPHYUROSA-N

Data: 1 IC50

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 1 hit for monomerid = 50369466   

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))	BDBM50369466 (CHEMBL124028) Show SMILES CC(C)C[C@@H]1CN2[C@@H](C)CN=C2N1C(C)C12CC3CC(CC(C3)C1)C2 |c:10,TLB:18:19:23:16.17.22,THB:18:17:23:24.19.20,20:19:16:23.21.22,20:21:16:24.19.18| Show InChI InChI=1S/C22H37N3/c1-14(2)5-20-13-24-15(3)12-23-21(24)25(20)16(4)22-9-17-6-18(10-22)8-19(7-17)11-22/h14-20H,5-13H2,1-4H3/t15-,16?,17?,18?,19?,20+,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Inhibitory activity for kappa opioid receptor				J Med Chem 42: 3743-78 (1999) BindingDB Entry DOI: 10.7270/Q22Z167W
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