Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 2793   

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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24705 (4-aminopyrazolylpyrimidine analogue, 10k | 5-bromo...) Show SMILES C[C@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H18BrFN6/c1-10(11-4-6-13(20)7-5-11)22-18-21-9-14(19)17(24-18)23-16-8-15(25-26-16)12-2-3-12/h4-10,12H,2-3H2,1H3,(H3,21,22,23,24,25,26)/t10-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...				J Med Chem 51: 4672-84 (2008) Article DOI: 10.1021/jm800343j BindingDB Entry DOI: 10.7270/Q2RN365V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24706 ((2R)-2-({5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-y...) Show SMILES OC[C@H](Nc1ncc(Cl)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H18ClFN6O/c19-13-8-21-18(22-15(9-27)11-3-5-12(20)6-4-11)24-17(13)23-16-7-14(25-26-16)10-1-2-10/h3-8,10,15,27H,1-2,9H2,(H3,21,22,23,24,25,26)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...				J Med Chem 51: 4672-84 (2008) Article DOI: 10.1021/jm800343j BindingDB Entry DOI: 10.7270/Q2RN365V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24707 ((3S)-3-({5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-y...) Show SMILES CN(C)C(=O)C[C@H](Nc1ncc(Cl)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H23ClFN7O/c1-30(2)19(31)10-16(12-5-7-14(23)8-6-12)25-21-24-11-15(22)20(27-21)26-18-9-17(28-29-18)13-3-4-13/h5-9,11,13,16H,3-4,10H2,1-2H3,(H3,24,25,26,27,28,29)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...				J Med Chem 51: 4672-84 (2008) Article DOI: 10.1021/jm800343j BindingDB Entry DOI: 10.7270/Q2RN365V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24708 ((3S)-3-({5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-y...) Show SMILES CNC(=O)C[C@H](Nc1ncc(Cl)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21ClFN7O/c1-23-18(30)9-15(11-4-6-13(22)7-5-11)25-20-24-10-14(21)19(27-20)26-17-8-16(28-29-17)12-2-3-12/h4-8,10,12,15H,2-3,9H2,1H3,(H,23,30)(H3,24,25,26,27,28,29)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...				J Med Chem 51: 4672-84 (2008) Article DOI: 10.1021/jm800343j BindingDB Entry DOI: 10.7270/Q2RN365V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24699 (4-aminopyrazolylpyrimidine analogue, 10e | 5-bromo...) Show SMILES Fc1ccc(CNc2ncc(Br)c(Nc3cc(n[nH]3)C3CC3)n2)cc1 Show InChI InChI=1S/C17H16BrFN6/c18-13-9-21-17(20-8-10-1-5-12(19)6-2-10)23-16(13)22-15-7-14(24-25-15)11-3-4-11/h1-2,5-7,9,11H,3-4,8H2,(H3,20,21,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...				J Med Chem 51: 4672-84 (2008) Article DOI: 10.1021/jm800343j BindingDB Entry DOI: 10.7270/Q2RN365V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24701 (4-aminopyrazolylpyrimidine analogue, 10g | 5-bromo...) Show SMILES C[C@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1 |r| Show InChI InChI=1S/C18H19BrN6/c1-11(12-5-3-2-4-6-12)21-18-20-10-14(19)17(23-18)22-16-9-15(24-25-16)13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H3,20,21,22,23,24,25)/t11-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...				J Med Chem 51: 4672-84 (2008) Article DOI: 10.1021/jm800343j BindingDB Entry DOI: 10.7270/Q2RN365V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24698 (4-aminopyrazolylpyrimidine analogue, 10d | 5-bromo...) Show SMILES COc1ccccc1CNc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1 Show InChI InChI=1S/C18H19BrN6O/c1-26-15-5-3-2-4-12(15)9-20-18-21-10-13(19)17(23-18)22-16-8-14(24-25-16)11-6-7-11/h2-5,8,10-11H,6-7,9H2,1H3,(H3,20,21,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...				J Med Chem 51: 4672-84 (2008) Article DOI: 10.1021/jm800343j BindingDB Entry DOI: 10.7270/Q2RN365V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24704 ((2R)-2-({5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl...) Show SMILES OC[C@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1 |r| Show InChI InChI=1S/C18H19BrN6O/c19-13-9-20-18(21-15(10-26)11-4-2-1-3-5-11)23-17(13)22-16-8-14(24-25-16)12-6-7-12/h1-5,8-9,12,15,26H,6-7,10H2,(H3,20,21,22,23,24,25)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...				J Med Chem 51: 4672-84 (2008) Article DOI: 10.1021/jm800343j BindingDB Entry DOI: 10.7270/Q2RN365V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24694 (4-aminopyrazolylpyrimidine analogue, 5 | 5-bromo-4...) Show SMILES Cc1cc(CNc2ncc(Br)c(Nc3cc(n[nH]3)C3CC3)n2)on1 Show InChI InChI=1S/C15H16BrN7O/c1-8-4-10(24-23-8)6-17-15-18-7-11(16)14(20-15)19-13-5-12(21-22-13)9-2-3-9/h4-5,7,9H,2-3,6H2,1H3,(H3,17,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...				J Med Chem 51: 4672-84 (2008) Article DOI: 10.1021/jm800343j BindingDB Entry DOI: 10.7270/Q2RN365V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24700 (4-aminopyrazolylpyrimidine analogue, 10f | 5-bromo...) Show SMILES Clc1ccc(CNc2ncc(Br)c(Nc3cc(n[nH]3)C3CC3)n2)cc1 Show InChI InChI=1S/C17H16BrClN6/c18-13-9-21-17(20-8-10-1-5-12(19)6-2-10)23-16(13)22-15-7-14(24-25-15)11-3-4-11/h1-2,5-7,9,11H,3-4,8H2,(H3,20,21,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...				J Med Chem 51: 4672-84 (2008) Article DOI: 10.1021/jm800343j BindingDB Entry DOI: 10.7270/Q2RN365V
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM14824 (4-({5-bromo-4-[(4-methoxyphenyl)amino]pyrimidin-2-...) Show SMILES COc1ccc(Nc2nc(Nc3ccc(cc3)C(O)=O)ncc2Br)cc1 Show InChI InChI=1S/C18H15BrN4O3/c1-26-14-8-6-12(7-9-14)21-16-15(19)10-20-18(23-16)22-13-4-2-11(3-5-13)17(24)25/h2-10H,1H3,(H,24,25)(H2,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	646	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description TrkB kinase activity was measured against its ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substrate using homog...				J Med Chem 51: 4672-84 (2008) Article DOI: 10.1021/jm800343j BindingDB Entry DOI: 10.7270/Q2RN365V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24702 (4-aminopyrazolylpyrimidine analogue, 10h | 5-bromo...) Show SMILES C[C@@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1 |r| Show InChI InChI=1S/C18H19BrN6/c1-11(12-5-3-2-4-6-12)21-18-20-10-14(19)17(23-18)22-16-9-15(24-25-16)13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H3,20,21,22,23,24,25)/t11-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...				J Med Chem 51: 4672-84 (2008) Article DOI: 10.1021/jm800343j BindingDB Entry DOI: 10.7270/Q2RN365V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24696 (4-aminopyrazolylpyrimidine analogue, 10b | 5-bromo...) Show SMILES COc1cccc(CNc2ncc(Br)c(Nc3cc(n[nH]3)C3CC3)n2)c1 Show InChI InChI=1S/C18H19BrN6O/c1-26-13-4-2-3-11(7-13)9-20-18-21-10-14(19)17(23-18)22-16-8-15(24-25-16)12-5-6-12/h2-4,7-8,10,12H,5-6,9H2,1H3,(H3,20,21,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...				J Med Chem 51: 4672-84 (2008) Article DOI: 10.1021/jm800343j BindingDB Entry DOI: 10.7270/Q2RN365V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24695 (2-N-benzyl-5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3...) Show SMILES Brc1cnc(NCc2ccccc2)nc1Nc1cc(n[nH]1)C1CC1 Show InChI InChI=1S/C17H17BrN6/c18-13-10-20-17(19-9-11-4-2-1-3-5-11)22-16(13)21-15-8-14(23-24-15)12-6-7-12/h1-5,8,10,12H,6-7,9H2,(H3,19,20,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...				J Med Chem 51: 4672-84 (2008) Article DOI: 10.1021/jm800343j BindingDB Entry DOI: 10.7270/Q2RN365V
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM24694 (4-aminopyrazolylpyrimidine analogue, 5 | 5-bromo-4...) Show SMILES Cc1cc(CNc2ncc(Br)c(Nc3cc(n[nH]3)C3CC3)n2)on1 Show InChI InChI=1S/C15H16BrN7O/c1-8-4-10(24-23-8)6-17-15-18-7-11(16)14(20-15)19-13-5-12(21-22-13)9-2-3-9/h4-5,7,9H,2-3,6H2,1H3,(H3,17,18,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description TrkB kinase activity was measured against its ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substrate using homog...				J Med Chem 51: 4672-84 (2008) Article DOI: 10.1021/jm800343j BindingDB Entry DOI: 10.7270/Q2RN365V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24697 (4-aminopyrazolylpyrimidine analogue, 10c | 5-bromo...) Show SMILES Clc1ccccc1CNc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1 Show InChI InChI=1S/C17H16BrClN6/c18-12-9-21-17(20-8-11-3-1-2-4-13(11)19)23-16(12)22-15-7-14(24-25-15)10-5-6-10/h1-4,7,9-10H,5-6,8H2,(H3,20,21,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...				J Med Chem 51: 4672-84 (2008) Article DOI: 10.1021/jm800343j BindingDB Entry DOI: 10.7270/Q2RN365V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24703 ((2S)-2-({5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl...) Show SMILES OC[C@@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1 |r| Show InChI InChI=1S/C18H19BrN6O/c19-13-9-20-18(21-15(10-26)11-4-2-1-3-5-11)23-17(13)22-16-8-14(24-25-16)12-6-7-12/h1-5,8-9,12,15,26H,6-7,10H2,(H3,20,21,22,23,24,25)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...				J Med Chem 51: 4672-84 (2008) Article DOI: 10.1021/jm800343j BindingDB Entry DOI: 10.7270/Q2RN365V
					More data for this Ligand-Target Pair