BDBM50002044 CHEMBL610880

SMILES: [H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(\C=C\c4ccccn4)cc12)ccc3O

InChI Key: InChIKey=BXJRBGNXZAKXLL-FLQNDTOOSA-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 = 50002044   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50002044 (CHEMBL610880) Show SMILES [H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(\C=C\c4ccccn4)cc12)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C33H31N3O3/c37-26-11-8-21-16-27-33(38)17-24-23-15-19(6-9-22-3-1-2-13-34-22)7-10-25(23)35-29(24)31-32(33,28(21)30(26)39-31)12-14-36(27)18-20-4-5-20/h1-3,6-11,13,15,20,27,31,35,37-38H,4-5,12,14,16-18H2/b9-6+/t27-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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 Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS) Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 from rat brain membranes using [3H]DADLE				J Med Chem 48: 1620-9 (2005) Checked by Author Article DOI: 10.1021/jm049117e BindingDB Entry DOI: 10.7270/Q2ZP47MP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50002044 (CHEMBL610880) Show SMILES [H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(\C=C\c4ccccn4)cc12)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C33H31N3O3/c37-26-11-8-21-16-27-33(38)17-24-23-15-19(6-9-22-3-1-2-13-34-22)7-10-25(23)35-29(24)31-32(33,28(21)30(26)39-31)12-14-36(27)18-20-4-5-20/h1-3,6-11,13,15,20,27,31,35,37-38H,4-5,12,14,16-18H2/b9-6+/t27-,31-,32+,33-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS) Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes using [3H]U-69593				J Med Chem 48: 1620-9 (2005) Checked by Author Article DOI: 10.1021/jm049117e BindingDB Entry DOI: 10.7270/Q2ZP47MP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50002044 (CHEMBL610880) Show SMILES [H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(\C=C\c4ccccn4)cc12)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C33H31N3O3/c37-26-11-8-21-16-27-33(38)17-24-23-15-19(6-9-22-3-1-2-13-34-22)7-10-25(23)35-29(24)31-32(33,28(21)30(26)39-31)12-14-36(27)18-20-4-5-20/h1-3,6-11,13,15,20,27,31,35,37-38H,4-5,12,14,16-18H2/b9-6+/t27-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS) Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 from rat brain membranes using [3H]DAMGO				J Med Chem 48: 1620-9 (2005) Checked by Author Article DOI: 10.1021/jm049117e BindingDB Entry DOI: 10.7270/Q2ZP47MP
					More data for this Ligand-Target Pair