BDBM50122517 16-methyl-(16S)-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,12,14-pentaen-17-ylmethanol::CHEMBL2373396

SMILES: [H][C@@]1(C)N(CO)[C@]2([H])Cc3ccccc3[C@]1([H])C1=CC=CC[C@]21[H]

InChI Key: InChIKey=BKVFAIPAILCULU-PFWLFNHPSA-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 = 50122517   

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))	BDBM50122517 (16-methyl-(16S)-17-azatetracyclo[7.6.2.02,7.010,15...) Show SMILES [H][C@@]1(C)N(CO)[C@]2([H])Cc3ccccc3[C@]1([H])C1=CC=CC[C@]21[H] |c:21,t:19,TLB:13:14:3.1:17.22,THB:10:9:3.1:17.22,18:17:3.1:14.8.9,4:3:17.22:14.8.9,2:1:17.22:14.8.9| Show InChI InChI=1S/C18H21NO/c1-12-18-14-7-3-2-6-13(14)10-17(19(12)11-20)15-8-4-5-9-16(15)18/h2-7,9,12,15,17-18,20H,8,10-11H2,1H3/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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50122517 (16-methyl-(16S)-17-azatetracyclo[7.6.2.02,7.010,15...) Show SMILES [H][C@@]1(C)N(CO)[C@]2([H])Cc3ccccc3[C@]1([H])C1=CC=CC[C@]21[H] |c:21,t:19,TLB:13:14:3.1:17.22,THB:10:9:3.1:17.22,18:17:3.1:14.8.9,4:3:17.22:14.8.9,2:1:17.22:14.8.9| Show InChI InChI=1S/C18H21NO/c1-12-18-14-7-3-2-6-13(14)10-17(19(12)11-20)15-8-4-5-9-16(15)18/h2-7,9,12,15,17-18,20H,8,10-11H2,1H3/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 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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50122517 (16-methyl-(16S)-17-azatetracyclo[7.6.2.02,7.010,15...) Show SMILES [H][C@@]1(C)N(CO)[C@]2([H])Cc3ccccc3[C@]1([H])C1=CC=CC[C@]21[H] |c:21,t:19,TLB:13:14:3.1:17.22,THB:10:9:3.1:17.22,18:17:3.1:14.8.9,4:3:17.22:14.8.9,2:1:17.22:14.8.9| Show InChI InChI=1S/C18H21NO/c1-12-18-14-7-3-2-6-13(14)10-17(19(12)11-20)15-8-4-5-9-16(15)18/h2-7,9,12,15,17-18,20H,8,10-11H2,1H3/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	404	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