null

SMILES: CN(CCc1ccccc1)C(=O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O

InChI Key: InChIKey=XTSYSSUSRFOCHS-ZZVPPEEFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50321029   

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))	BDBM50321029 ((1R,2R,6S,14R,15R,16S)-3-(cyclopropylmethyl)-11,15...) Show SMILES CN(CCc1ccccc1)C(=O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r,wU:25.28,14.14,wD:33.39,19.21,17.19,12.12,c:16,TLB:10:12:33.19:15.16,(.95,-49.83,;1.01,-48.3,;2.37,-47.58,;3.67,-48.4,;5.03,-47.67,;6.32,-48.5,;7.68,-47.78,;7.74,-46.24,;6.42,-45.42,;5.07,-46.14,;-.3,-47.48,;-.24,-45.94,;-1.66,-48.21,;-2.96,-47.37,;-4.32,-48.08,;-2.8,-48.08,;-3.57,-49.41,;-1.69,-49.72,;-.39,-50.53,;-3.06,-50.43,;-3.88,-52.04,;-5.74,-51.88,;-5.71,-50.34,;-7,-49.54,;-6.98,-48.01,;-5.62,-47.28,;-6.35,-45.85,;-6.89,-44.41,;-8.44,-44.43,;-9.79,-43.67,;-9.78,-45.22,;-6.82,-47.35,;-6,-49.12,;-4.35,-49.63,;-8.35,-50.3,;-8.4,-51.82,;-7.08,-52.62,;-7.12,-54.15,)| Show InChI InChI=1S/C32H36N2O4/c1-33(15-11-20-5-3-2-4-6-20)28(36)23-18-30-12-13-32(23,37)29-31(30)14-16-34(19-21-7-8-21)25(30)17-22-9-10-24(35)27(38-29)26(22)31/h2-6,9-10,12-13,21,23,25,29,35,37H,7-8,11,14-19H2,1H3/t23-,25-,29-,30-,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	0.279	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem 18: 4446-52 (2010) Article DOI: 10.1016/j.bmc.2010.04.069 BindingDB Entry DOI: 10.7270/Q23X87MV
					More data for this Ligand-Target Pair