BDBM50260244 CHEMBL3632690

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccc(cc1)N(C)C)C2=O)ccc3O

InChI Key: InChIKey=XJFPKGBBIGGHTH-BTUBRQENSA-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 = 50260244   

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))	BDBM50260244 (CHEMBL3632690) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccc(cc1)N(C)C)C2=O)ccc3O |r,TLB:10:9:17:6.4.5| Show InChI InChI=1S/C29H32N2O4/c1-30(2)21-8-5-17(6-9-21)13-20-15-29(34)23-14-19-7-10-22(32)26-24(19)28(29,27(35-26)25(20)33)11-12-31(23)16-18-3-4-18/h5-10,13,18,23,27,32,34H,3-4,11-12,14-16H2,1-2H3/b20-13+/t23-,27+,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.70	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))	BDBM50260244 (CHEMBL3632690) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccc(cc1)N(C)C)C2=O)ccc3O |r,TLB:10:9:17:6.4.5| Show InChI InChI=1S/C29H32N2O4/c1-30(2)21-8-5-17(6-9-21)13-20-15-29(34)23-14-19-7-10-22(32)26-24(19)28(29,27(35-26)25(20)33)11-12-31(23)16-18-3-4-18/h5-10,13,18,23,27,32,34H,3-4,11-12,14-16H2,1-2H3/b20-13+/t23-,27+,28+,29-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	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]DAMGO from human mu 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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50260244 (CHEMBL3632690) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)C\C(=C/c1ccc(cc1)N(C)C)C2=O)ccc3O |r,TLB:10:9:17:6.4.5| Show InChI InChI=1S/C29H32N2O4/c1-30(2)21-8-5-17(6-9-21)13-20-15-29(34)23-14-19-7-10-22(32)26-24(19)28(29,27(35-26)25(20)33)11-12-31(23)16-18-3-4-18/h5-10,13,18,23,27,32,34H,3-4,11-12,14-16H2,1-2H3/b20-13+/t23-,27+,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	29	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 thrombin				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