Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50011713   

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))	BDBM50550241 (CHEMBL4744936) Show SMILES CC(C)n1cc(C(=O)c2ccnc(NC(=O)Nc3ccc(F)cc3F)c2)c2c(N)ncnc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TrkA expressed in human U2OS cells pre-incubated 30 mins before neurotrophin addition and measured after 2 hrs by luminescence ba...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9TQ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50550242 (CHEMBL4748010) Show SMILES CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3ccc(F)cc3F)c2)c2c(N)ncnc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TrkA expressed in human U2OS cells pre-incubated 30 mins before neurotrophin addition and measured after 2 hrs by luminescence ba...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9TQ8
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50550245 (CHEMBL4748276) Show SMILES CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cnc(N)nc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TrkA expressed in human U2OS cells pre-incubated 30 mins before neurotrophin addition and measured after 2 hrs by luminescence ba...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9TQ8
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50550243 (CHEMBL4790022) Show SMILES CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2c(N)ncnc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TrkA expressed in human U2OS cells pre-incubated 30 mins before neurotrophin addition and measured after 2 hrs by luminescence ba...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9TQ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM134787 (US8846698, 250) Show SMILES CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cnc(N)nc12 Show InChI InChI=1S/C23H21ClN6O2/c1-13(2)30-12-19(18-11-27-23(25)29-22(18)30)21(32)15-8-17(10-26-9-15)28-20(31)7-14-3-5-16(24)6-4-14/h3-6,8-13H,7H2,1-2H3,(H,28,31)(H2,25,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TrkA expressed in human U2OS cells pre-incubated 30 mins before neurotrophin addition and measured after 2 hrs by luminescence ba...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9TQ8
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50550246 (PF06273340 | Pf-06273340) Show SMILES CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnc(N)nc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TrkA expressed in human U2OS cells pre-incubated 30 mins before neurotrophin addition and measured after 2 hrs by luminescence ba...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9TQ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM134790 (US8846698, 253) Show SMILES CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C3CC3)c2)c2cnc(N)nc12 Show InChI InChI=1S/C23H24N8O2/c1-13(2)31-11-18(17-10-26-23(24)28-22(17)31)21(33)15-7-16(9-25-8-15)27-20(32)12-30-6-5-19(29-30)14-3-4-14/h5-11,13-14H,3-4,12H2,1-2H3,(H,27,32)(H2,24,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TrkA expressed in human U2OS cells pre-incubated 30 mins before neurotrophin addition and measured after 2 hrs by luminescence ba...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9TQ8
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM134606 (US8846698, 69) Show SMILES CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc12 Show InChI InChI=1S/C23H20ClN5O2/c1-14(2)29-12-20(19-11-26-13-27-23(19)29)22(31)16-8-18(10-25-9-16)28-21(30)7-15-3-5-17(24)6-4-15/h3-6,8-14H,7H2,1-2H3,(H,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TrkA expressed in human U2OS cells pre-incubated 30 mins before neurotrophin addition and measured after 2 hrs by luminescence ba...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9TQ8
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM186364 (US9163021, 21) Show SMILES CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C(F)(F)F)c2)c2cnccc12 Show InChI InChI=1S/C22H19F3N6O2/c1-13(2)31-11-17(16-10-26-5-3-18(16)31)21(33)14-7-15(9-27-8-14)28-20(32)12-30-6-4-19(29-30)22(23,24)25/h3-11,13H,12H2,1-2H3,(H,28,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TrkA expressed in human U2OS cells pre-incubated 30 mins before neurotrophin addition and measured after 2 hrs by luminescence ba...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9TQ8
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM186369 (US9163021, 26) Show SMILES CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C3CC3)c2)c2cnccc12 Show InChI InChI=1S/C24H24N6O2/c1-15(2)30-13-20(19-12-25-7-5-22(19)30)24(32)17-9-18(11-26-10-17)27-23(31)14-29-8-6-21(28-29)16-3-4-16/h5-13,15-16H,3-4,14H2,1-2H3,(H,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TrkA expressed in human U2OS cells pre-incubated 30 mins before neurotrophin addition and measured after 2 hrs by luminescence ba...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9TQ8
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM134627 (US8846698, 90) Show SMILES CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C3CC3)c2)c2cncnc12 Show InChI InChI=1S/C23H23N7O2/c1-14(2)30-11-19(18-10-25-13-26-23(18)30)22(32)16-7-17(9-24-8-16)27-21(31)12-29-6-5-20(28-29)15-3-4-15/h5-11,13-15H,3-4,12H2,1-2H3,(H,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TrkA expressed in human U2OS cells pre-incubated 30 mins before neurotrophin addition and measured after 2 hrs by luminescence ba...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9TQ8
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM186432 (US9163021, 90) Show SMILES CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C3CC3)c2)c2cncc(F)c12 Show InChI InChI=1S/C24H23FN6O2/c1-14(2)31-12-19(18-10-27-11-20(25)23(18)31)24(33)16-7-17(9-26-8-16)28-22(32)13-30-6-5-21(29-30)15-3-4-15/h5-12,14-15H,3-4,13H2,1-2H3,(H,28,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TrkA expressed in human U2OS cells pre-incubated 30 mins before neurotrophin addition and measured after 2 hrs by luminescence ba...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9TQ8
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM134608 (US8846698, 71) Show SMILES CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(cc3)C#N)c2)c2cncnc12 Show InChI InChI=1S/C24H20N6O2/c1-15(2)30-13-21(20-12-27-14-28-24(20)30)23(32)18-8-19(11-26-10-18)29-22(31)7-16-3-5-17(9-25)6-4-16/h3-6,8,10-15H,7H2,1-2H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TrkA expressed in human U2OS cells pre-incubated 30 mins before neurotrophin addition and measured after 2 hrs by luminescence ba...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9TQ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50550244 (CHEMBL4794903) Show SMILES CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(cc3)C#N)c2)c2c(N)ncnc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TrkA expressed in human U2OS cells pre-incubated 30 mins before neurotrophin addition and measured after 2 hrs by luminescence ba...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9TQ8
					More data for this Ligand-Target Pair