BDBM50193542 17-methyl-4'-methyldihydromorphinone

SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccc(C)cc1)ccc5O

InChI Key: InChIKey=JRFZMFGBYRTYRZ-KPAXYDNFSA-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 = 50193542   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50193542 (17-methyl-4'-methyldihydromorphinone) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccc(C)cc1)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2| Show InChI InChI=1S/C27H28N2O4/c1-16-3-5-17(6-4-16)7-10-22(32)28-27-12-11-20(31)25-26(27)13-14-29(2)21(27)15-18-8-9-19(30)24(33-25)23(18)26/h3-10,21,25,30H,11-15H2,1-2H3,(H,28,32)/b10-7+/t21?,25-,26-,27+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Stimulation of [35S]GTPgammaS binding to human recombinant MOR				J Med Chem 49: 5333-8 (2006) Article DOI: 10.1021/jm0604777 BindingDB Entry DOI: 10.7270/Q2WH2QSM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50193542 (17-methyl-4'-methyldihydromorphinone) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccc(C)cc1)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2| Show InChI InChI=1S/C27H28N2O4/c1-16-3-5-17(6-4-16)7-10-22(32)28-27-12-11-20(31)25-26(27)13-14-29(2)21(27)15-18-8-9-19(30)24(33-25)23(18)26/h3-10,21,25,30H,11-15H2,1-2H3,(H,28,32)/b10-7+/t21?,25-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human recombinant KOR expressed in CHO cells				J Med Chem 49: 5333-8 (2006) Article DOI: 10.1021/jm0604777 BindingDB Entry DOI: 10.7270/Q2WH2QSM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50193542 (17-methyl-4'-methyldihydromorphinone) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccc(C)cc1)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2| Show InChI InChI=1S/C27H28N2O4/c1-16-3-5-17(6-4-16)7-10-22(32)28-27-12-11-20(31)25-26(27)13-14-29(2)21(27)15-18-8-9-19(30)24(33-25)23(18)26/h3-10,21,25,30H,11-15H2,1-2H3,(H,28,32)/b10-7+/t21?,25-,26-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant DOR expressed in CHO cells				J Med Chem 49: 5333-8 (2006) Article DOI: 10.1021/jm0604777 BindingDB Entry DOI: 10.7270/Q2WH2QSM
					More data for this Ligand-Target Pair