Compile Data Set for Download or QSAR

Found 182 hits with Last Name = 'mueller' and Initial = 'm'   

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
3-oxoacyl-[acyl-carrier-protein] synthase 1 [C171Q] (Mycobacterium tuberculosis)	BDBM214777 (TLM18) Show SMILES C\C(C=C)=C/[C@@]1(C)SC(=O)C(CCCCN=[N+]=[N-])=C1O |r,c:17| Show InChI InChI=1S/C14H19N3O2S/c1-4-10(2)9-14(3)12(18)11(13(19)20-14)7-5-6-8-16-17-15/h4,9,18H,1,5-8H2,2-3H3/b10-9+/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	3.84E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
University of Wuerzburg					Assay Description Binding of TLM18 to wild-type and mutant KasA was quantified by monitoring changes in the intrinsic tryptophan fluorescence of the enzyme at waveleng...				J Biol Chem 288: 34190-204 (2013) Article DOI: 10.1074/jbc.M113.511436 BindingDB Entry DOI: 10.7270/Q22F7M8D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3014 (3-((3-Hydroxyphenyl)amino)-4-((3-chlorophenyl)amin...) Show SMILES Oc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1 Show InChI InChI=1S/C17H13ClN6O/c18-10-3-1-4-11(7-10)21-15-14-16(20-9-19-15)23-24-17(14)22-12-5-2-6-13(25)8-12/h1-9,25H,(H3,19,20,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3023 (3-{4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyr...) Show SMILES Oc1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H12ClN5O/c18-11-4-2-5-12(8-11)21-16-14-15(10-3-1-6-13(24)7-10)22-23-17(14)20-9-19-16/h1-9,24H,(H2,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3029 (3-(4-Aminophenyl)-4-((3-chlorophenyl)amino)-1H-pyr...) Show SMILES Nc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H13ClN6/c18-11-2-1-3-13(8-11)22-16-14-15(10-4-6-12(19)7-5-10)23-24-17(14)21-9-20-16/h1-9H,19H2,(H2,20,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3027 (3-(3-Aminophenyl)-4-((3-chlorophenyl)amino)-1H-pyr...) Show SMILES Nc1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H13ClN6/c18-11-4-2-6-13(8-11)22-16-14-15(10-3-1-5-12(19)7-10)23-24-17(14)21-9-20-16/h1-9H,19H2,(H2,20,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3016 (3-((4-Aminophenyl)amino)-4-((3-chlorophenyl)amino)...) Show SMILES Nc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1 Show InChI InChI=1S/C17H14ClN7/c18-10-2-1-3-13(8-10)23-15-14-16(21-9-20-15)24-25-17(14)22-12-6-4-11(19)5-7-12/h1-9H,19H2,(H3,20,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3032 (CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3025 (3-(4-Hydroxyphenyl)-4-((3-chlorophenyl)amino)pyraz...) Show SMILES Oc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H12ClN5O/c18-11-2-1-3-12(8-11)21-16-14-15(10-4-6-13(24)7-5-10)22-23-17(14)20-9-19-16/h1-9,24H,(H2,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3021 (3-((4-Methoxybenzyl)amino)-4-((3-chlorophenyl)amin...) Show SMILES COc1ccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1 Show InChI InChI=1S/C19H17ClN6O/c1-27-15-7-5-12(6-8-15)10-21-18-16-17(22-11-23-19(16)26-25-18)24-14-4-2-3-13(20)9-14/h2-9,11H,10H2,1H3,(H3,21,22,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3018 (3-(Benzylamino)-4-((3-chlorophenyl)amino)-1H-pyraz...) Show SMILES Clc1cccc(Nc2ncnc3n[nH]c(NCc4ccccc4)c23)c1 Show InChI InChI=1S/C18H15ClN6/c19-13-7-4-8-14(9-13)23-16-15-17(24-25-18(15)22-11-21-16)20-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H3,20,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3012 (3-((4-Hydroxyphenyl)amino)-4-((3-chlorophenyl)amin...) Show SMILES Oc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1 Show InChI InChI=1S/C17H13ClN6O/c18-10-2-1-3-12(8-10)22-15-14-16(20-9-19-15)23-24-17(14)21-11-4-6-13(25)7-5-11/h1-9,25H,(H3,19,20,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3013 (3-((3-Methoxyphenyl)amino)-4-((3-chlorophenyl)amin...) Show SMILES COc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1 Show InChI InChI=1S/C18H15ClN6O/c1-26-14-7-3-6-13(9-14)23-18-15-16(20-10-21-17(15)24-25-18)22-12-5-2-4-11(19)8-12/h2-10H,1H3,(H3,20,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3020 (3-((3-Methoxybenzyl)amino)-4-((3-chlorophenyl)amin...) Show SMILES COc1cccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1 Show InChI InChI=1S/C19H17ClN6O/c1-27-15-7-2-4-12(8-15)10-21-18-16-17(22-11-23-19(16)26-25-18)24-14-6-3-5-13(20)9-14/h2-9,11H,10H2,1H3,(H3,21,22,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3022 (4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 23...) Show SMILES Clc1cccc(Nc2ncnc3n[nH]c(-c4ccccc4)c23)c1 Show InChI InChI=1S/C17H12ClN5/c18-12-7-4-8-13(9-12)21-16-14-15(11-5-2-1-3-6-11)22-23-17(14)20-10-19-16/h1-10H,(H2,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3023 (3-{4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyr...) Show SMILES Oc1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H12ClN5O/c18-11-4-2-5-12(8-11)21-16-14-15(10-3-1-6-13(24)7-10)22-23-17(14)20-9-19-16/h1-9,24H,(H2,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3019 (3-((3-Chlorobenzyl)amino)-4-((3-chlorophenyl)amino...) Show SMILES Clc1cccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1 Show InChI InChI=1S/C18H14Cl2N6/c19-12-4-1-3-11(7-12)9-21-17-15-16(22-10-23-18(15)26-25-17)24-14-6-2-5-13(20)8-14/h1-8,10H,9H2,(H3,21,22,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3017 (3-((4-(Dimethylamino)phenyl)amino)-4-((3-chlorophe...) Show SMILES CN(C)c1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1 Show InChI InChI=1S/C19H18ClN7/c1-27(2)15-8-6-13(7-9-15)23-19-16-17(21-11-22-18(16)25-26-19)24-14-5-3-4-12(20)10-14/h3-11H,1-2H3,(H3,21,22,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3011 (3-((4-Methoxyphenyl)-amino)-4-((3-chlorophenyl)ami...) Show SMILES COc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1 Show InChI InChI=1S/C18H15ClN6O/c1-26-14-7-5-12(6-8-14)22-18-15-16(20-10-21-17(15)24-25-18)23-13-4-2-3-11(19)9-13/h2-10H,1H3,(H3,20,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl (Abelson murine leukemia virus)	BDBM3032 (CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM97610 (CHEMBL1630715 | US8470841, 35) Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1 |r| Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3008 (3,4-Bis((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]p...) Show SMILES Clc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1 Show InChI InChI=1S/C17H12Cl2N6/c18-10-3-1-5-12(7-10)22-15-14-16(21-9-20-15)24-25-17(14)23-13-6-2-4-11(19)8-13/h1-9H,(H3,20,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	7.5	20
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3026 (3-(3-Nitrophenyl)-4-((3-chlorophenyl)amino)-1H-pyr...) Show SMILES [O-][N+](=O)c1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H11ClN6O2/c18-11-4-2-5-12(8-11)21-16-14-15(22-23-17(14)20-9-19-16)10-3-1-6-13(7-10)24(25)26/h1-9H,(H2,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM97601 (US8470841, 17) Show SMILES CC(=O)NCCC[C@H]1OC[C@@H](CO1)Oc1ccc(OCc2ccccc2)cn1 |r,wU:7.6,wD:10.13,(9.36,-9.03,;9.76,-7.54,;11.25,-7.14,;8.67,-6.45,;7.18,-6.85,;6.1,-5.76,;4.61,-6.16,;3.52,-5.07,;2.03,-5.47,;.94,-4.38,;1.34,-2.9,;2.83,-2.5,;3.92,-3.59,;.25,-1.81,;-1.23,-2.21,;-1.63,-3.69,;-3.12,-4.09,;-4.21,-3,;-5.7,-3.4,;-6.79,-2.31,;-8.27,-2.71,;-9.36,-1.62,;-10.85,-2.02,;-11.25,-3.51,;-10.16,-4.6,;-8.67,-4.2,;-3.81,-1.51,;-2.32,-1.12,)| Show InChI InChI=1S/C21H26N2O5/c1-16(24)22-11-5-8-21-26-14-19(15-27-21)28-20-10-9-18(12-23-20)25-13-17-6-3-2-4-7-17/h2-4,6-7,9-10,12,19,21H,5,8,11,13-15H2,1H3,(H,22,24)/t19-,21-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM97600 (US8470841, 12) Show SMILES CC(CCc1ccc(Oc2ccc(OCC3CCC3)cn2)cc1)NC(C)=O Show InChI InChI=1S/C22H28N2O3/c1-16(24-17(2)25)6-7-18-8-10-20(11-9-18)27-22-13-12-21(14-23-22)26-15-19-4-3-5-19/h8-14,16,19H,3-7,15H2,1-2H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3006 (3,4-Di-(phenylamino)-1H-pyrazolo[3,4-d]pyrimidine ...) Show SMILES N(c1[nH]nc2ncnc(Nc3ccccc3)c12)c1ccccc1 Show InChI InChI=1S/C17H14N6/c1-3-7-12(8-4-1)20-15-14-16(19-11-18-15)22-23-17(14)21-13-9-5-2-6-10-13/h1-11H,(H3,18,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	7.5	20
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM97609 (US8470841, 33) Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(C)=O)cc2)cn1 Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM97611 (CHEMBL1630712 | US8470841, 36) Show SMILES CC(CCc1ccc(Oc2ccc(OCc3ccccc3)nc2)cc1)NC(C)=O Show InChI InChI=1S/C24H26N2O3/c1-18(26-19(2)27)8-9-20-10-12-22(13-11-20)29-23-14-15-24(25-16-23)28-17-21-6-4-3-5-7-21/h3-7,10-16,18H,8-9,17H2,1-2H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM97623 (US8470841, 52) Show SMILES CC(C)Oc1ccc(OC2CCC(CCC(C)NC(C)=O)CC2)cn1 |(-10,-.77,;-8.67,,;-8.67,1.54,;-7.34,-.77,;-6,,;-6,1.54,;-4.67,2.31,;-3.33,1.54,;-2,2.31,;-.67,1.54,;-.67,,;.67,-.77,;2,,;3.33,-.77,;4.67,,;6,-.77,;6,-2.31,;7.34,,;8.67,-.77,;8.67,-2.31,;10,,;2,1.54,;.67,2.31,;-3.33,,;-4.67,-.77,)| Show InChI InChI=1S/C20H32N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h11-15,17-18H,5-10H2,1-4H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM97622 (CHEMBL1630701 | US8470841, 51) Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(=O)C3CC3)cc2)cn1 |r| Show InChI InChI=1S/C22H28N2O3/c1-15(2)26-21-13-12-20(14-23-21)27-19-10-6-17(7-11-19)5-4-16(3)24-22(25)18-8-9-18/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,24,25)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3007 (3-((3-Chlorophenyl)amino)-4-(phenylamino)-1H-pyraz...) Show SMILES Clc1cccc(Nc2[nH]nc3ncnc(Nc4ccccc4)c23)c1 Show InChI InChI=1S/C17H13ClN6/c18-11-5-4-8-13(9-11)22-17-14-15(19-10-20-16(14)23-24-17)21-12-6-2-1-3-7-12/h1-10H,(H3,19,20,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	7.5	20
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM97615 (US8470841, 44) Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(=O)C3CC3)cc2)cn1 Show InChI InChI=1S/C22H28N2O3/c1-15(2)26-21-13-12-20(14-23-21)27-19-10-6-17(7-11-19)5-4-16(3)24-22(25)18-8-9-18/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3024 (3-(4-Methoxyphenyl)-4-((3-chlorophenyl)amino)-1H-p...) Show SMILES COc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12 Show InChI InChI=1S/C18H14ClN5O/c1-25-14-7-5-11(6-8-14)16-15-17(20-10-21-18(15)24-23-16)22-13-4-2-3-12(19)9-13/h2-10H,1H3,(H2,20,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM64583 (BDBM50332551 | US8470841, 19) Show SMILES C[C@@H](CCc1ccc(Oc2ccc(OCc3ccccc3)cn2)cc1)NC(C)=O |r| Show InChI InChI=1S/C24H26N2O3/c1-18(26-19(2)27)8-9-20-10-12-22(13-11-20)29-24-15-14-23(16-25-24)28-17-21-6-4-3-5-7-21/h3-7,10-16,18H,8-9,17H2,1-2H3,(H,26,27)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM97624 (US8470841, 59) Show SMILES CC(C)Oc1ccc(Oc2ccc(OC[C@H](C)NC(C)=O)cc2)cc1 |r| Show InChI InChI=1S/C20H25NO4/c1-14(2)24-18-9-11-20(12-10-18)25-19-7-5-17(6-8-19)23-13-15(3)21-16(4)22/h5-12,14-15H,13H2,1-4H3,(H,21,22)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3009 (3-((3-Chlorophenyl)amino)-4-((3-bromophenyl)amino)...) Show SMILES Clc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Br)c4)c23)c1 Show InChI InChI=1S/C17H12BrClN6/c18-10-3-1-5-12(7-10)22-15-14-16(21-9-20-15)24-25-17(14)23-13-6-2-4-11(19)8-13/h1-9H,(H3,20,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3010 (3-((3-Chlorophenyl)amino)-4-((3-methylphenyl)amino...) Show SMILES Cc1cccc(Nc2ncnc3n[nH]c(Nc4cccc(Cl)c4)c23)c1 Show InChI InChI=1S/C18H15ClN6/c1-11-4-2-6-13(8-11)22-16-15-17(21-10-20-16)24-25-18(15)23-14-7-3-5-12(19)9-14/h2-10H,1H3,(H3,20,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM50332552 (CHEMBL1630708 | N-(4-(4-(5-(cyclopentyloxy)pyridin...) Show SMILES CC(CCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1)NC(C)=O Show InChI InChI=1S/C22H28N2O3/c1-16(24-17(2)25)7-8-18-9-11-20(12-10-18)27-22-14-13-21(15-23-22)26-19-5-3-4-6-19/h9-16,19H,3-8H2,1-2H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM97599 (US8470841, 11) Show SMILES CCCOc1ccc(Oc2ccc(CCC(C)NC(C)=O)cc2)nc1 Show InChI InChI=1S/C20H26N2O3/c1-4-13-24-19-11-12-20(21-14-19)25-18-9-7-17(8-10-18)6-5-15(2)22-16(3)23/h7-12,14-15H,4-6,13H2,1-3H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM97597 (US8470841, 9) Show SMILES CC(CCc1ccc(Oc2ccc(OCc3ccccc3)cn2)cc1)NC(C)=O Show InChI InChI=1S/C24H26N2O3/c1-18(26-19(2)27)8-9-20-10-12-22(13-11-20)29-24-15-14-23(16-25-24)28-17-21-6-4-3-5-7-21/h3-7,10-16,18H,8-9,17H2,1-2H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM97618 (CHEMBL1630702 | US8470841, 47) Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(N)=O)cc2)cn1 Show InChI InChI=1S/C19H25N3O3/c1-13(2)24-18-11-10-17(12-21-18)25-16-8-6-15(7-9-16)5-4-14(3)22-19(20)23/h6-14H,4-5H2,1-3H3,(H3,20,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl (Abelson murine leukemia virus)	BDBM3012 (3-((4-Hydroxyphenyl)amino)-4-((3-chlorophenyl)amin...) Show SMILES Oc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1 Show InChI InChI=1S/C17H13ClN6O/c18-10-2-1-3-12(8-10)22-15-14-16(20-9-19-15)23-24-17(14)21-11-4-6-13(25)7-5-11/h1-9,25H,(H3,19,20,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM97598 (US8470841, 10) Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(C)=O)cc2)nc1 Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-19-11-12-20(21-13-19)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3005 (3-((3-Chlorophenyl)amino)-4-amino-1H-pyrazolo[3,4-...) Show SMILES Nc1ncnc2n[nH]c(Nc3cccc(Cl)c3)c12 Show InChI InChI=1S/C11H9ClN6/c12-6-2-1-3-7(4-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.5	20
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM97621 (US8470841, 50) Show SMILES CC(CCc1ccc(Oc2ccc(OCC3CC3)nc2)cc1)NC(C)=O Show InChI InChI=1S/C21H26N2O3/c1-15(23-16(2)24)3-4-17-7-9-19(10-8-17)26-20-11-12-21(22-13-20)25-14-18-5-6-18/h7-13,15,18H,3-6,14H2,1-2H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM97610 (CHEMBL1630715 | US8470841, 35) Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1 |r| Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl (Abelson murine leukemia virus)	BDBM3023 (3-{4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyr...) Show SMILES Oc1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H12ClN5O/c18-11-4-2-5-12(8-11)21-16-14-15(10-3-1-6-13(24)7-10)22-23-17(14)20-9-19-16/h1-9,24H,(H2,19,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM97610 (CHEMBL1630715 | US8470841, 35) Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1 |r| Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM50332549 ((S)-N-(4-(4-(5-isopropoxypyridin-2-yloxy)phenyl)bu...) Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)nc1 |r| Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-19-11-12-20(21-13-19)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 [151-2458] (Homo sapiens (Human))	BDBM50332555 (CHEMBL1630705 | US8470841, 6 | trans-N-(3-(5-(4-(c...) Show SMILES CC(=O)NCCC[C@H]1OC[C@@H](CO1)Oc1ccc(OC2CCCC2)cc1 |r,wU:10.13,wD:7.6,(11.2,-15.46,;9.86,-16.23,;9.86,-17.77,;8.53,-15.46,;7.2,-16.23,;5.86,-15.46,;4.52,-16.22,;3.19,-15.46,;3.19,-13.92,;1.86,-13.14,;.53,-13.92,;.53,-15.46,;1.86,-16.23,;-.81,-13.14,;-2.14,-13.93,;-3.47,-13.17,;-4.8,-13.94,;-4.8,-15.48,;-6.14,-16.25,;-7.38,-15.33,;-7.36,-13.79,;-8.83,-13.3,;-9.74,-14.54,;-8.85,-15.79,;-3.47,-16.25,;-2.13,-15.48,)| Show InChI InChI=1S/C20H29NO5/c1-15(22)21-12-4-7-20-23-13-19(14-24-20)26-18-10-8-17(9-11-18)25-16-5-2-3-6-16/h8-11,16,19-20H,2-7,12-14H2,1H3,(H,21,22)/t19-,20-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM3023 (3-{4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyr...) Show SMILES Oc1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12 Show InChI InChI=1S/C17H12ClN5O/c18-11-4-2-5-12(8-11)21-16-14-15(10-3-1-6-13(24)7-10)22-23-17(14)20-9-19-16/h1-9,24H,(H2,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair

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