Compile Data Set for Download or QSAR

Found 127 hits with Last Name = 'gregor' and Initial = 've'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM130912 (US8822500, [1]) Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)Cc3cc2[nH]1 |r| Show InChI InChI=1S/C27H27F4N6O2/c1-13(8-16-23(30)17(28)11-18(29)24(16)31)33-19-4-5-32-26(38)22(19)25-34-20-9-14-12-37(7-6-36(2)3)27(39)15(14)10-21(20)35-25/h4-5,9-11,13,34-35H,6-8,12H2,1-3H3,(H2,32,33,38)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.205	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM130909 (US10683289, Example Staurosporine | US10927120, Co...) Show SMILES CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	0.248	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM130910 (US8822500, [4]) Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(Cc3cc2[nH]1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H29F4N6O2/c1-14(9-18-25(32)19(30)12-20(31)26(18)33)35-21-3-6-34-28(40)24(21)27-36-22-10-15-13-39(16-4-7-38(2)8-5-16)29(41)17(15)11-23(22)37-27/h3,6,10-12,14,16,36-37H,4-5,7-9,13H2,1-2H3,(H2,34,35,40)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM130911 (US8822500, [2]) Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)C(=O)c3cc2[nH]1 |r| Show InChI InChI=1S/C27H25F4N6O3/c1-12(8-15-22(30)16(28)11-17(29)23(15)31)33-18-4-5-32-25(38)21(18)24-34-19-9-13-14(10-20(19)35-24)27(40)37(26(13)39)7-6-36(2)3/h4-5,9-12,34-35H,6-8H2,1-3H3,(H2,32,33,38)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.436	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM130909 (US10683289, Example Staurosporine | US10927120, Co...) Show SMILES CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	0.525	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM130919 (US8822500, [18]) Show SMILES CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3CN(CCN(C)C)C(=O)c3cc2[nH]1 Show InChI InChI=1S/C27H28F2N6O2/c1-15(10-16-11-18(28)4-5-20(16)29)31-21-6-7-30-26(36)24(21)25-32-22-12-17-14-35(9-8-34(2)3)27(37)19(17)13-23(22)33-25/h4-7,11-13,15H,8-10,14H2,1-3H3,(H,32,33)(H2,30,31,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.688	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM8986 (7-chloro-1,2,3,4-tetrahydroacridin-9-amine | Tacri...) Show SMILES Nc1c2CCCCc2nc2ccc(Cl)cc12 Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H2,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM130912 (US8822500, [1]) Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)Cc3cc2[nH]1 |r| Show InChI InChI=1S/C27H27F4N6O2/c1-13(8-16-23(30)17(28)11-18(29)24(16)31)33-19-4-5-32-26(38)22(19)25-34-20-9-14-12-37(7-6-36(2)3)27(39)15(14)10-21(20)35-25/h4-5,9-11,13,34-35H,6-8,12H2,1-3H3,(H2,32,33,38)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.14	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM130909 (US10683289, Example Staurosporine | US10927120, Co...) Show SMILES CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	1.18	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50060470 (10-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6...) Show SMILES Nc1c2C3CCC(C3)c2nc2ccccc12 Show InChI InChI=1S/C14H14N2/c15-13-10-3-1-2-4-11(10)16-14-9-6-5-8(7-9)12(13)14/h1-4,8-9H,5-7H2,(H2,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM130909 (US10683289, Example Staurosporine | US10927120, Co...) Show SMILES CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	1.36	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM130909 (US10683289, Example Staurosporine | US10927120, Co...) Show SMILES CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	1.41	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM130912 (US8822500, [1]) Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)Cc3cc2[nH]1 |r| Show InChI InChI=1S/C27H27F4N6O2/c1-13(8-16-23(30)17(28)11-18(29)24(16)31)33-19-4-5-32-26(38)22(19)25-34-20-9-14-12-37(7-6-36(2)3)27(39)15(14)10-21(20)35-25/h4-5,9-11,13,34-35H,6-8,12H2,1-3H3,(H2,32,33,38)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.58	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8987 (6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...) Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM130912 (US8822500, [1]) Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)Cc3cc2[nH]1 |r| Show InChI InChI=1S/C27H27F4N6O2/c1-13(8-16-23(30)17(28)11-18(29)24(16)31)33-19-4-5-32-26(38)22(19)25-34-20-9-14-12-37(7-6-36(2)3)27(39)15(14)10-21(20)35-25/h4-5,9-11,13,34-35H,6-8,12H2,1-3H3,(H2,32,33,38)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.06	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM130909 (US10683289, Example Staurosporine | US10927120, Co...) Show SMILES CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	2.19	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50280625 (7-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) Show SMILES Nc1c2C3CCC(C3)c2nc2cc(Cl)ccc12 Show InChI InChI=1S/C14H13ClN2/c15-9-3-4-10-11(6-9)17-14-8-2-1-7(5-8)12(14)13(10)16/h3-4,6-8H,1-2,5H2,(H2,16,17)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM130921 (US8822500, [24A]) Show SMILES CC(Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2c(C)c3CN(C4CCN(C)CC4)C(=O)c3cc2[nH]1 Show InChI InChI=1S/C30H30F4N6O2/c1-14(10-18-25(33)20(31)12-21(32)26(18)34)36-22-4-7-35-29(41)24(22)28-37-23-11-17-19(15(2)27(23)38-28)13-40(30(17)42)16-5-8-39(3)9-6-16/h4,7,11-12,14,16H,5-6,8-10,13H2,1-3H3,(H,37,38)(H2,35,36,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.37	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM130910 (US8822500, [4]) Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(Cc3cc2[nH]1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H29F4N6O2/c1-14(9-18-25(32)19(30)12-20(31)26(18)33)35-21-3-6-34-28(40)24(21)27-36-22-10-15-13-39(16-4-7-38(2)8-5-16)29(41)17(15)11-23(22)37-27/h3,6,10-12,14,16,36-37H,4-5,7-9,13H2,1-2H3,(H2,34,35,40)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8987 (6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...) Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM130910 (US8822500, [4]) Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(Cc3cc2[nH]1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H29F4N6O2/c1-14(9-18-25(32)19(30)12-20(31)26(18)33)35-21-3-6-34-28(40)24(21)27-36-22-10-15-13-39(16-4-7-38(2)8-5-16)29(41)17(15)11-23(22)37-27/h3,6,10-12,14,16,36-37H,4-5,7-9,13H2,1-2H3,(H2,34,35,40)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.48	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM130912 (US8822500, [1]) Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)Cc3cc2[nH]1 |r| Show InChI InChI=1S/C27H27F4N6O2/c1-13(8-16-23(30)17(28)11-18(29)24(16)31)33-19-4-5-32-26(38)22(19)25-34-20-9-14-12-37(7-6-36(2)3)27(39)15(14)10-21(20)35-25/h4-5,9-11,13,34-35H,6-8,12H2,1-3H3,(H2,32,33,38)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.53	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM130919 (US8822500, [18]) Show SMILES CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3CN(CCN(C)C)C(=O)c3cc2[nH]1 Show InChI InChI=1S/C27H28F2N6O2/c1-15(10-16-11-18(28)4-5-20(16)29)31-21-6-7-30-26(36)24(21)25-32-22-12-17-14-35(9-8-34(2)3)27(37)19(17)13-23(22)33-25/h4-7,11-13,15H,8-10,14H2,1-3H3,(H,32,33)(H2,30,31,36)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.33	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50279984 (8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamine | 9-...) Show SMILES Nc1c2CCCCc2nc2cccc(Cl)c12 Show InChI InChI=1S/C13H13ClN2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2,(H2,15,16)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50280625 (7-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) Show SMILES Nc1c2C3CCC(C3)c2nc2cc(Cl)ccc12 Show InChI InChI=1S/C14H13ClN2/c15-9-3-4-10-11(6-9)17-14-8-2-1-7(5-8)12(14)13(10)16/h3-4,6-8H,1-2,5H2,(H2,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM130912 (US8822500, [1]) Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)Cc3cc2[nH]1 |r| Show InChI InChI=1S/C27H27F4N6O2/c1-13(8-16-23(30)17(28)11-18(29)24(16)31)33-19-4-5-32-26(38)22(19)25-34-20-9-14-12-37(7-6-36(2)3)27(39)15(14)10-21(20)35-25/h4-5,9-11,13,34-35H,6-8,12H2,1-3H3,(H2,32,33,38)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM130910 (US8822500, [4]) Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(Cc3cc2[nH]1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H29F4N6O2/c1-14(9-18-25(32)19(30)12-20(31)26(18)33)35-21-3-6-34-28(40)24(21)27-36-22-10-15-13-39(16-4-7-38(2)8-5-16)29(41)17(15)11-23(22)37-27/h3,6,10-12,14,16,36-37H,4-5,7-9,13H2,1-2H3,(H2,34,35,40)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.00	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM130910 (US8822500, [4]) Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(Cc3cc2[nH]1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H29F4N6O2/c1-14(9-18-25(32)19(30)12-20(31)26(18)33)35-21-3-6-34-28(40)24(21)27-36-22-10-15-13-39(16-4-7-38(2)8-5-16)29(41)17(15)11-23(22)37-27/h3,6,10-12,14,16,36-37H,4-5,7-9,13H2,1-2H3,(H2,34,35,40)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.98	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM130921 (US8822500, [24A]) Show SMILES CC(Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2c(C)c3CN(C4CCN(C)CC4)C(=O)c3cc2[nH]1 Show InChI InChI=1S/C30H30F4N6O2/c1-14(10-18-25(33)20(31)12-21(32)26(18)34)36-22-4-7-35-29(41)24(22)28-37-23-11-17-19(15(2)27(23)38-28)13-40(30(17)42)16-5-8-39(3)9-6-16/h4,7,11-12,14,16H,5-6,8-10,13H2,1-3H3,(H,37,38)(H2,35,36,41)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.99	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM130913 (US8822500, [28]) Show SMILES CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(C4CCN(C)CC4)C(=O)c3cc2[nH]1 Show InChI InChI=1S/C29H29F2N6O3/c1-15(11-16-12-17(30)3-4-21(16)31)33-22-5-8-32-27(38)25(22)26-34-23-13-19-20(14-24(23)35-26)29(40)37(28(19)39)18-6-9-36(2)10-7-18/h3-5,8,12-15,18,34-35H,6-7,9-11H2,1-2H3,(H2,32,33,38)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.35	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM130915 (US8822500, [13]) Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(C(O)c3cc2[nH]1)c1cccnc1 |r| Show InChI InChI=1S/C28H21F4N6O3/c1-12(7-16-23(31)17(29)10-18(30)24(16)32)35-19-4-6-34-26(39)22(19)25-36-20-8-14-15(9-21(20)37-25)28(41)38(27(14)40)13-3-2-5-33-11-13/h2-6,8-12,27,36-37,40H,7H2,1H3,(H2,34,35,39)/t12-,27?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.36	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50280627 (5-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) Show SMILES Nc1c2C3CCC(C3)c2nc2cccc(Cl)c12 Show InChI InChI=1S/C14H13ClN2/c15-9-2-1-3-10-12(9)13(16)11-7-4-5-8(6-7)14(11)17-10/h1-3,7-8H,4-6H2,(H2,16,17)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM8987 (6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...) Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM130919 (US8822500, [18]) Show SMILES CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3CN(CCN(C)C)C(=O)c3cc2[nH]1 Show InChI InChI=1S/C27H28F2N6O2/c1-15(10-16-11-18(28)4-5-20(16)29)31-21-6-7-30-26(36)24(21)25-32-22-12-17-14-35(9-8-34(2)3)27(37)19(17)13-23(22)33-25/h4-7,11-13,15H,8-10,14H2,1-3H3,(H,32,33)(H2,30,31,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.16	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50279984 (8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamine | 9-...) Show SMILES Nc1c2CCCCc2nc2cccc(Cl)c12 Show InChI InChI=1S/C13H13ClN2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM130910 (US8822500, [4]) Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(Cc3cc2[nH]1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H29F4N6O2/c1-14(9-18-25(32)19(30)12-20(31)26(18)33)35-21-3-6-34-28(40)24(21)27-36-22-10-15-13-39(16-4-7-38(2)8-5-16)29(41)17(15)11-23(22)37-27/h3,6,10-12,14,16,36-37H,4-5,7-9,13H2,1-2H3,(H2,34,35,40)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.81	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM130920 (US8822500, [24]) Show SMILES CC(Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3CN(C4CCN(C)CC4)C(=O)c3c(C)c2[nH]1 Show InChI InChI=1S/C30H30F4N6O2/c1-14(10-18-25(33)19(31)12-20(32)26(18)34)36-21-4-7-35-29(41)24(21)28-37-22-11-16-13-40(17-5-8-39(3)9-6-17)30(42)23(16)15(2)27(22)38-28/h4,7,11-12,14,17H,5-6,8-10,13H2,1-3H3,(H,37,38)(H2,35,36,41)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.4	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM130921 (US8822500, [24A]) Show SMILES CC(Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2c(C)c3CN(C4CCN(C)CC4)C(=O)c3cc2[nH]1 Show InChI InChI=1S/C30H30F4N6O2/c1-14(10-18-25(33)20(31)12-21(32)26(18)34)36-22-4-7-35-29(41)24(22)28-37-23-11-17-19(15(2)27(23)38-28)13-40(30(17)42)16-5-8-39(3)9-6-16/h4,7,11-12,14,16H,5-6,8-10,13H2,1-3H3,(H,37,38)(H2,35,36,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.2	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50060470 (10-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6...) Show SMILES Nc1c2C3CCC(C3)c2nc2ccccc12 Show InChI InChI=1S/C14H14N2/c15-13-10-3-1-2-4-11(10)16-14-9-6-5-8(7-9)12(13)14/h1-4,8-9H,5-7H2,(H2,15,16)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM130911 (US8822500, [2]) Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)C(=O)c3cc2[nH]1 |r| Show InChI InChI=1S/C27H25F4N6O3/c1-12(8-15-22(30)16(28)11-17(29)23(15)31)33-18-4-5-32-25(38)21(18)24-34-19-9-13-14(10-20(19)35-24)27(40)37(26(13)39)7-6-36(2)3/h4-5,9-12,34-35H,6-8H2,1-3H3,(H2,32,33,38)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.2	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50279984 (8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamine | 9-...) Show SMILES Nc1c2CCCCc2nc2cccc(Cl)c12 Show InChI InChI=1S/C13H13ClN2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2,(H2,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM130919 (US8822500, [18]) Show SMILES CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3CN(CCN(C)C)C(=O)c3cc2[nH]1 Show InChI InChI=1S/C27H28F2N6O2/c1-15(10-16-11-18(28)4-5-20(16)29)31-21-6-7-30-26(36)24(21)25-32-22-12-17-14-35(9-8-34(2)3)27(37)19(17)13-23(22)33-25/h4-7,11-13,15H,8-10,14H2,1-3H3,(H,32,33)(H2,30,31,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.1	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM130911 (US8822500, [2]) Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)C(=O)c3cc2[nH]1 |r| Show InChI InChI=1S/C27H25F4N6O3/c1-12(8-15-22(30)16(28)11-17(29)23(15)31)33-18-4-5-32-25(38)21(18)24-34-19-9-13-14(10-20(19)35-24)27(40)37(26(13)39)7-6-36(2)3/h4-5,9-12,34-35H,6-8H2,1-3H3,(H2,32,33,38)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14.0	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM130911 (US8822500, [2]) Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)C(=O)c3cc2[nH]1 |r| Show InChI InChI=1S/C27H25F4N6O3/c1-12(8-15-22(30)16(28)11-17(29)23(15)31)33-18-4-5-32-25(38)21(18)24-34-19-9-13-14(10-20(19)35-24)27(40)37(26(13)39)7-6-36(2)3/h4-5,9-12,34-35H,6-8H2,1-3H3,(H2,32,33,38)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14.0	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM130921 (US8822500, [24A]) Show SMILES CC(Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2c(C)c3CN(C4CCN(C)CC4)C(=O)c3cc2[nH]1 Show InChI InChI=1S/C30H30F4N6O2/c1-14(10-18-25(33)20(31)12-21(32)26(18)34)36-22-4-7-35-29(41)24(22)28-37-23-11-17-19(15(2)27(23)38-28)13-40(30(17)42)16-5-8-39(3)9-6-16/h4,7,11-12,14,16H,5-6,8-10,13H2,1-3H3,(H,37,38)(H2,35,36,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14.6	n/a	n/a	n/a	n/a	7.5	n/a
Chembridge Corporation US Patent					Assay Description Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...				US Patent US8822500 (2014) BindingDB Entry DOI: 10.7270/Q2319TKV
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50280627 (5-chloro-10-azatetracyclo[10.2.1.02,11.04,9]pentad...) Show SMILES Nc1c2C3CCC(C3)c2nc2cccc(Cl)c12 Show InChI InChI=1S/C14H13ClN2/c15-9-2-1-3-10-12(9)13(16)11-7-4-5-8(6-7)14(11)17-10/h1-3,7-8H,4-6H2,(H2,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair

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