BDBM50015006 CHEMBL3262360

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O

InChI Key: InChIKey=KLULJLHFQXPFIW-RNOORVPFSA-N

Data: 2 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 2 hits for monomerid = 50015006   

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)	BDBM50015006 (CHEMBL3262360) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,wD:29.35,7.7,17.39,21.26,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)| Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25+,27-,28-,29+,30-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from mu opioid receptor in Hartley guinea pig brain membranes after 60 mins by beta-plate liquid scintillation counting an...				J Med Chem 57: 4049-57 (2014) Article DOI: 10.1021/jm401964y BindingDB Entry DOI: 10.7270/Q2NG4S62
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50015006 (CHEMBL3262360) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,wD:29.35,7.7,17.39,21.26,c:38,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.86,-12.29,;13.88,-9.61,;15.44,-9.63,;16.22,-8.29,;15.45,-6.93,;13.88,-6.93,;13.11,-8.27,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)| Show InChI InChI=1S/C30H33NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-12,18,21,23,25,27,32-33H,7-8,13-17H2,1H3/t21-,23-,25+,27-,28-,29+,30-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]-U69,593 from kappa opioid receptor in Hartley guinea pig brain membranes after 60 mins by beta-plate liquid scintillation counti...				J Med Chem 57: 4049-57 (2014) Article DOI: 10.1021/jm401964y BindingDB Entry DOI: 10.7270/Q2NG4S62
					More data for this Ligand-Target Pair