BDBM50122527 16,17-dimethyl-(16S)-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,12,14-pentaene::CHEMBL344301

SMILES: C[C@H]1C2C3=CC=CC[C@@H]3[C@@H](Cc3ccccc23)N1C

InChI Key: InChIKey=NHBOGHQFCGGGEW-QSMOKTFHSA-N

Data: 3 IC50

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 = 50122527   

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))	BDBM50122527 (16,17-dimethyl-(16S)-17-azatetracyclo[7.6.2.02,7.0...) Show SMILES C[C@H]1C2C3=CC=CC[C@@H]3[C@@H](Cc3ccccc23)N1C |c:5,t:3,TLB:18:17:3.8:16.10.11,0:1:3.8:16.10.11| Show InChI InChI=1S/C18H21N/c1-12-18-14-8-4-3-7-13(14)11-17(19(12)2)15-9-5-6-10-16(15)18/h3-8,10,12,15,17-18H,9,11H2,1-2H3/t12-,15?,17+,18?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50122527 (16,17-dimethyl-(16S)-17-azatetracyclo[7.6.2.02,7.0...) Show SMILES C[C@H]1C2C3=CC=CC[C@@H]3[C@@H](Cc3ccccc23)N1C |c:5,t:3,TLB:18:17:3.8:16.10.11,0:1:3.8:16.10.11| Show InChI InChI=1S/C18H21N/c1-12-18-14-8-4-3-7-13(14)11-17(19(12)2)15-9-5-6-10-16(15)18/h3-8,10,12,15,17-18H,9,11H2,1-2H3/t12-,15?,17+,18?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Tested for effective concentration against cloned human Opioid receptor mu 1				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50122527 (16,17-dimethyl-(16S)-17-azatetracyclo[7.6.2.02,7.0...) Show SMILES C[C@H]1C2C3=CC=CC[C@@H]3[C@@H](Cc3ccccc23)N1C |c:5,t:3,TLB:18:17:3.8:16.10.11,0:1:3.8:16.10.11| Show InChI InChI=1S/C18H21N/c1-12-18-14-8-4-3-7-13(14)11-17(19(12)2)15-9-5-6-10-16(15)18/h3-8,10,12,15,17-18H,9,11H2,1-2H3/t12-,15?,17+,18?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair