BDBM50002036 CHEMBL195770

SMILES: [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1cncnc21)ccc3O

InChI Key: InChIKey=XAVIRADGRBNXAW-WTZMOYRQSA-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 = 50002036   

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))	BDBM50002036 (CHEMBL195770) Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1cncnc21)ccc3O |THB:3:4:16:8.14.13,17:16:4.5.6:8.14.13,9:8:16:4.5.6| Show InChI InChI=1S/C22H23N3O3/c26-15-4-3-13-7-16-22(27)8-14-9-23-11-24-18(14)20-21(22,17(13)19(15)28-20)5-6-25(16)10-12-1-2-12/h3-4,9,11-12,16,20,26-27H,1-2,5-8,10H2/t16?,20-,21?,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	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))	BDBM50002036 (CHEMBL195770) Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1cncnc21)ccc3O |THB:3:4:16:8.14.13,17:16:4.5.6:8.14.13,9:8:16:4.5.6| Show InChI InChI=1S/C22H23N3O3/c26-15-4-3-13-7-16-22(27)8-14-9-23-11-24-18(14)20-21(22,17(13)19(15)28-20)5-6-25(16)10-12-1-2-12/h3-4,9,11-12,16,20,26-27H,1-2,5-8,10H2/t16?,20-,21?,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	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 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))	BDBM50002036 (CHEMBL195770) Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1cncnc21)ccc3O |THB:3:4:16:8.14.13,17:16:4.5.6:8.14.13,9:8:16:4.5.6| Show InChI InChI=1S/C22H23N3O3/c26-15-4-3-13-7-16-22(27)8-14-9-23-11-24-18(14)20-21(22,17(13)19(15)28-20)5-6-25(16)10-12-1-2-12/h3-4,9,11-12,16,20,26-27H,1-2,5-8,10H2/t16?,20-,21?,22+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	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