BDBM50001975 CHEMBL193586

SMILES: [H][C@@]12Oc3c4c(CC5N(C)CCC14[C@@]5(O)Cc1cc(cnc21)-c1ccc(Br)cc1)ccc3O

InChI Key: InChIKey=VFSKBAPCGVOKRI-RFTKNZGOSA-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 = 50001975   

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))	BDBM50001975 (CHEMBL193586) Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CCC14[C@@]5(O)Cc1cc(cnc21)-c1ccc(Br)cc1)ccc3O |THB:3:4:13:8.11.10,14:13:4.5.6:8.11.10,9:8:13:4.5.6| Show InChI InChI=1S/C26H23BrN2O3/c1-29-9-8-25-21-15-4-7-19(30)23(21)32-24(25)22-16(12-26(25,31)20(29)11-15)10-17(13-28-22)14-2-5-18(27)6-3-14/h2-7,10,13,20,24,30-31H,8-9,11-12H2,1H3/t20?,24-,25?,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50001975 (CHEMBL193586) Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CCC14[C@@]5(O)Cc1cc(cnc21)-c1ccc(Br)cc1)ccc3O |THB:3:4:13:8.11.10,14:13:4.5.6:8.11.10,9:8:13:4.5.6| Show InChI InChI=1S/C26H23BrN2O3/c1-29-9-8-25-21-15-4-7-19(30)23(21)32-24(25)22-16(12-26(25,31)20(29)11-15)10-17(13-28-22)14-2-5-18(27)6-3-14/h2-7,10,13,20,24,30-31H,8-9,11-12H2,1H3/t20?,24-,25?,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	195	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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50001975 (CHEMBL193586) Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CCC14[C@@]5(O)Cc1cc(cnc21)-c1ccc(Br)cc1)ccc3O |THB:3:4:13:8.11.10,14:13:4.5.6:8.11.10,9:8:13:4.5.6| Show InChI InChI=1S/C26H23BrN2O3/c1-29-9-8-25-21-15-4-7-19(30)23(21)32-24(25)22-16(12-26(25,31)20(29)11-15)10-17(13-28-22)14-2-5-18(27)6-3-14/h2-7,10,13,20,24,30-31H,8-9,11-12H2,1H3/t20?,24-,25?,26+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	437	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