BDBM50260257 CHEMBL4105306

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1F)C2=O)ccc3O

InChI Key: InChIKey=WVHLCFNQDOEASH-PMDSDZCYSA-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 = 50260257   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50260257 (CHEMBL4105306) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1F)C2=O)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C27H26FNO4/c28-19-4-2-1-3-16(19)11-18-13-27(32)21-12-17-7-8-20(30)24-22(17)26(27,25(33-24)23(18)31)9-10-29(21)14-15-5-6-15/h1-4,7-8,11,15,21,25,30,32H,5-6,9-10,12-14H2/b18-11+/t21-,25+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes by microbeta scintillation counting analysis				Bioorg Med Chem 25: 4375-4383 (2017) Article DOI: 10.1016/j.bmc.2017.06.026 BindingDB Entry DOI: 10.7270/Q25T3NZ0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50260257 (CHEMBL4105306) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1F)C2=O)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C27H26FNO4/c28-19-4-2-1-3-16(19)11-18-13-27(32)21-12-17-7-8-20(30)24-22(17)26(27,25(33-24)23(18)31)9-10-29(21)14-15-5-6-15/h1-4,7-8,11,15,21,25,30,32H,5-6,9-10,12-14H2/b18-11+/t21-,25+,26+,27-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Inhibitory activity against binding of Fibrinogen to thrombocyte alpha IIb beta-3 integrin				Bioorg Med Chem 25: 4375-4383 (2017) Article DOI: 10.1016/j.bmc.2017.06.026 BindingDB Entry DOI: 10.7270/Q25T3NZ0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50260257 (CHEMBL4105306) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccccc1F)C2=O)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C27H26FNO4/c28-19-4-2-1-3-16(19)11-18-13-27(32)21-12-17-7-8-20(30)24-22(17)26(27,25(33-24)23(18)31)9-10-29(21)14-15-5-6-15/h1-4,7-8,11,15,21,25,30,32H,5-6,9-10,12-14H2/b18-11+/t21-,25+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes by microbeta scintillation counting analysis				Bioorg Med Chem 25: 4375-4383 (2017) Article DOI: 10.1016/j.bmc.2017.06.026 BindingDB Entry DOI: 10.7270/Q25T3NZ0
					More data for this Ligand-Target Pair