BDBM50093799 (R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one::(R)-1-Amino-13-ethylidene-8,8,11-trimethyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one::CHEMBL79874

SMILES: C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C

InChI Key: InChIKey=GOFZQPREDCMUON-SVVPGJMFSA-N

Data: 4 KI  1 K_off  1 K_on

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 6 hits for monomerid = 50093799   

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
Acetylcholinesterase (Bos taurus (bovine))	BDBM50093799 ((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...) Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C |t:4,TLB:11:10:2:4.7.5,THB:15:16:2:4.7.5| Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards Acetylcholinesterase from fetal bovine serum				Bioorg Med Chem Lett 10: 2467-9 (2001) BindingDB Entry DOI: 10.7270/Q2R211X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50093799 ((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...) Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C |t:4,TLB:11:10:2:4.7.5,THB:15:16:2:4.7.5| Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards Acetylcholinesterase from fetal bovine serum				Bioorg Med Chem Lett 10: 2467-9 (2001) BindingDB Entry DOI: 10.7270/Q2R211X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50093799 ((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...) Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C |t:4,TLB:11:10:2:4.7.5,THB:15:16:2:4.7.5| Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant for the inhibition of fetal bovine serum acetylcholinesterase was determined..				Bioorg Med Chem Lett 6: 259-262 (1996) Article DOI: 10.1016/0960-894X(96)00012-1 BindingDB Entry DOI: 10.7270/Q2R49R8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50093799 ((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...) Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C |t:4,TLB:11:10:2:4.7.5,THB:15:16:2:4.7.5| Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards Acetylcholinesterase from fetal bovine serum				Bioorg Med Chem Lett 10: 2467-9 (2001) BindingDB Entry DOI: 10.7270/Q2R211X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50093799 ((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...) Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C |t:4,TLB:11:10:2:4.7.5,THB:15:16:2:4.7.5| Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	0.000217	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic constant for inhibition of fetal bovine serum acetylcholinesterase				Bioorg Med Chem Lett 6: 259-262 (1996) Article DOI: 10.1016/0960-894X(96)00012-1 BindingDB Entry DOI: 10.7270/Q2R49R8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50093799 ((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...) Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C |t:4,TLB:11:10:2:4.7.5,THB:15:16:2:4.7.5| Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	n/a	0.0130	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant for the inhibition of fetal bovine serum acetylcholinesterase was determined..				Bioorg Med Chem Lett 6: 259-262 (1996) Article DOI: 10.1016/0960-894X(96)00012-1 BindingDB Entry DOI: 10.7270/Q2R49R8X
					More data for this Ligand-Target Pair