Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50002078   

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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50453185 (CHEMBL4203825) Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:17.17,wD:20.21,(51.74,-32.62,;50.97,-31.28,;49.43,-31.28,;48.66,-29.95,;47.12,-29.95,;46.35,-31.28,;47.12,-32.62,;48.66,-32.62,;44.81,-31.28,;44.04,-32.62,;42.5,-32.62,;41.73,-31.28,;40.19,-31.28,;39.42,-29.95,;40.19,-28.62,;39.42,-27.29,;40.19,-25.95,;41.73,-25.95,;42.5,-24.62,;44.04,-24.62,;44.81,-25.95,;46.35,-25.95,;44.04,-27.29,;42.5,-27.29,;37.88,-27.29,;37.11,-28.62,;35.6,-28.94,;35.44,-30.47,;36.85,-31.09,;37.88,-29.95,;34.46,-27.9,;32.95,-28.23,;32.18,-26.89,;33.22,-25.75,;34.62,-26.37,;42.5,-29.95,;44.04,-29.95,)| Show InChI InChI=1S/C28H41N9/c1-2-35-15-17-36(18-16-35)23-13-11-21(12-14-23)31-26-25-27(37(19-30-25)24-5-3-4-6-24)34-28(33-26)32-22-9-7-20(29)8-10-22/h11-14,19-20,22,24H,2-10,15-18,29H2,1H3,(H2,31,32,33,34)/t20-,22-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...				J Med Chem 61: 3855-3869 (2018) Article DOI: 10.1021/acs.jmedchem.7b01529 BindingDB Entry DOI: 10.7270/Q2JH3PR1
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50453202 (CHEMBL4207317) Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(NCCCCN)nc3n(cnc23)C2CCCC2)cc1 Show InChI InChI=1S/C26H39N9/c1-2-33-15-17-34(18-16-33)21-11-9-20(10-12-21)30-24-23-25(32-26(31-24)28-14-6-5-13-27)35(19-29-23)22-7-3-4-8-22/h9-12,19,22H,2-8,13-18,27H2,1H3,(H2,28,30,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...				J Med Chem 61: 3855-3869 (2018) Article DOI: 10.1021/acs.jmedchem.7b01529 BindingDB Entry DOI: 10.7270/Q2JH3PR1
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50453196 (CHEMBL4216401) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Br)cc2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(13.6,-16.81,;15.14,-16.81,;15.91,-18.14,;17.45,-18.14,;18.22,-16.81,;17.45,-15.47,;15.91,-15.47,;19.76,-16.81,;20.53,-15.47,;19.76,-14.14,;20.53,-12.8,;19.76,-11.47,;18.22,-11.47,;17.45,-12.8,;15.91,-12.8,;15.14,-11.47,;13.6,-11.47,;15.91,-10.14,;17.45,-10.14,;22.07,-12.8,;23.1,-11.66,;24.51,-12.29,;24.35,-13.82,;25.49,-14.85,;27,-14.53,;27.77,-15.86,;26.74,-17.01,;25.33,-16.38,;22.84,-14.14,;22.07,-15.47,)| Show InChI InChI=1S/C22H28BrN7/c23-14-5-9-16(10-6-14)26-20-19-21(30(13-25-19)18-3-1-2-4-18)29-22(28-20)27-17-11-7-15(24)8-12-17/h5-6,9-10,13,15,17-18H,1-4,7-8,11-12,24H2,(H2,26,27,28,29)/t15-,17-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...				J Med Chem 61: 3855-3869 (2018) Article DOI: 10.1021/acs.jmedchem.7b01529 BindingDB Entry DOI: 10.7270/Q2JH3PR1
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50453198 (CHEMBL4212560) Show SMILES NCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 Show InChI InChI=1S/C25H36N8O/c26-11-3-4-12-27-25-30-23(22-24(31-25)33(18-28-22)21-5-1-2-6-21)29-20-9-7-19(8-10-20)17-32-13-15-34-16-14-32/h7-10,18,21H,1-6,11-17,26H2,(H2,27,29,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...				J Med Chem 61: 3855-3869 (2018) Article DOI: 10.1021/acs.jmedchem.7b01529 BindingDB Entry DOI: 10.7270/Q2JH3PR1
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50453195 (CHEMBL4202430) Show SMILES NCCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1 Show InChI InChI=1S/C24H34N8O/c25-11-3-4-12-26-24-29-22(21-23(30-24)32(17-27-21)20-5-1-2-6-20)28-18-7-9-19(10-8-18)31-13-15-33-16-14-31/h7-10,17,20H,1-6,11-16,25H2,(H2,26,28,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...				J Med Chem 61: 3855-3869 (2018) Article DOI: 10.1021/acs.jmedchem.7b01529 BindingDB Entry DOI: 10.7270/Q2JH3PR1
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50453197 (CHEMBL4208701) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(26.32,-12.53,;24.78,-12.53,;24.01,-11.19,;22.47,-11.19,;21.7,-12.53,;22.47,-13.86,;24.01,-13.86,;20.16,-12.53,;19.39,-13.86,;20.16,-15.19,;19.39,-16.53,;20.16,-17.86,;21.7,-17.86,;22.47,-16.53,;24.01,-16.53,;24.78,-17.86,;24.01,-19.19,;22.47,-19.19,;26.32,-17.86,;27.09,-16.53,;28.63,-16.53,;29.4,-17.86,;28.63,-19.19,;27.09,-19.19,;17.85,-16.53,;16.82,-17.67,;15.41,-17.05,;15.58,-15.51,;14.43,-14.48,;12.93,-14.8,;12.16,-13.47,;13.19,-12.33,;14.59,-12.95,;17.08,-15.19,;17.85,-13.86,)| Show InChI InChI=1S/C26H36N8O/c27-18-5-7-20(8-6-18)30-26-31-24(23-25(32-26)34(17-28-23)22-3-1-2-4-22)29-19-9-11-21(12-10-19)33-13-15-35-16-14-33/h9-12,17-18,20,22H,1-8,13-16,27H2,(H2,29,30,31,32)/t18-,20-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...				J Med Chem 61: 3855-3869 (2018) Article DOI: 10.1021/acs.jmedchem.7b01529 BindingDB Entry DOI: 10.7270/Q2JH3PR1
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50453194 (CHEMBL4204373) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(23.34,-10.58,;22.01,-11.35,;20.68,-10.58,;19.34,-11.35,;19.34,-12.89,;20.68,-13.66,;22.01,-12.89,;18.01,-13.66,;18.01,-15.2,;19.34,-15.97,;19.34,-17.51,;20.68,-18.28,;22.01,-17.51,;22.01,-15.97,;23.34,-15.2,;24.68,-15.97,;26.01,-15.2,;27.34,-15.97,;28.68,-15.2,;30.01,-15.97,;30.01,-17.51,;28.68,-18.28,;27.34,-17.51,;24.68,-17.51,;23.34,-18.28,;18.01,-18.28,;17.69,-19.79,;16.16,-19.95,;15.53,-18.54,;14.02,-18.22,;12.88,-19.25,;11.55,-18.48,;11.87,-16.98,;13.4,-16.82,;16.67,-17.51,;16.67,-15.97,)| Show InChI InChI=1S/C27H38N8O/c28-20-7-11-22(12-8-20)31-27-32-25(24-26(33-27)35(18-29-24)23-3-1-2-4-23)30-21-9-5-19(6-10-21)17-34-13-15-36-16-14-34/h5-6,9-10,18,20,22-23H,1-4,7-8,11-17,28H2,(H2,30,31,32,33)/t20-,22-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...				J Med Chem 61: 3855-3869 (2018) Article DOI: 10.1021/acs.jmedchem.7b01529 BindingDB Entry DOI: 10.7270/Q2JH3PR1
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50453200 (CHEMBL4210745) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCCC2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(26.86,-12.53,;25.32,-12.53,;24.55,-11.19,;23.01,-11.19,;22.24,-12.53,;23.01,-13.86,;24.55,-13.86,;20.7,-12.53,;19.93,-13.86,;20.7,-15.19,;19.93,-16.53,;20.7,-17.86,;22.24,-17.86,;23.01,-16.53,;24.55,-16.53,;25.32,-17.86,;24.55,-19.19,;23.01,-19.19,;26.86,-17.86,;27.76,-16.62,;29.23,-17.09,;29.23,-18.63,;27.76,-19.11,;18.39,-16.53,;17.36,-17.67,;15.95,-17.05,;16.11,-15.51,;14.97,-14.48,;13.46,-14.8,;12.69,-13.47,;13.72,-12.33,;15.13,-12.95,;17.62,-15.19,;18.39,-13.86,)| Show InChI InChI=1S/C26H36N8/c27-18-7-9-20(10-8-18)30-26-31-24(23-25(32-26)34(17-28-23)22-5-1-2-6-22)29-19-11-13-21(14-12-19)33-15-3-4-16-33/h11-14,17-18,20,22H,1-10,15-16,27H2,(H2,29,30,31,32)/t18-,20-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...				J Med Chem 61: 3855-3869 (2018) Article DOI: 10.1021/acs.jmedchem.7b01529 BindingDB Entry DOI: 10.7270/Q2JH3PR1
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50453192 (CHEMBL4216043) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CC3(COC3)C2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(16.44,-9.37,;17.21,-10.71,;16.44,-12.04,;17.21,-13.38,;18.75,-13.38,;19.52,-12.04,;18.75,-10.71,;19.52,-14.71,;18.75,-16.04,;19.52,-17.38,;18.75,-18.71,;19.52,-20.04,;21.06,-20.04,;21.83,-18.71,;23.37,-18.71,;24.14,-20.04,;23.37,-21.38,;21.83,-21.38,;25.68,-20.04,;26.77,-21.13,;27.86,-20.04,;28.95,-18.96,;30.04,-20.04,;28.95,-21.13,;26.77,-18.96,;17.21,-18.71,;16.18,-19.85,;14.78,-19.23,;14.94,-17.7,;13.79,-16.67,;12.29,-16.99,;11.52,-15.65,;12.55,-14.51,;13.95,-15.13,;16.44,-17.38,;17.21,-16.04,)| Show InChI InChI=1S/C27H36N8O/c28-18-5-7-20(8-6-18)31-26-32-24(23-25(33-26)35(17-29-23)22-3-1-2-4-22)30-19-9-11-21(12-10-19)34-13-27(14-34)15-36-16-27/h9-12,17-18,20,22H,1-8,13-16,28H2,(H2,30,31,32,33)/t18-,20-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...				J Med Chem 61: 3855-3869 (2018) Article DOI: 10.1021/acs.jmedchem.7b01529 BindingDB Entry DOI: 10.7270/Q2JH3PR1
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50453193 (CHEMBL4213103) Show SMILES NCCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 Show InChI InChI=1S/C26H38N8O/c27-12-4-1-5-13-28-26-31-24(23-25(32-26)34(19-29-23)22-6-2-3-7-22)30-21-10-8-20(9-11-21)18-33-14-16-35-17-15-33/h8-11,19,22H,1-7,12-18,27H2,(H2,28,30,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...				J Med Chem 61: 3855-3869 (2018) Article DOI: 10.1021/acs.jmedchem.7b01529 BindingDB Entry DOI: 10.7270/Q2JH3PR1
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50453201 (CHEMBL4208187) Show SMILES NCCCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 Show InChI InChI=1S/C27H40N8O/c28-13-5-1-2-6-14-29-27-32-25(24-26(33-27)35(20-30-24)23-7-3-4-8-23)31-22-11-9-21(10-12-22)19-34-15-17-36-18-16-34/h9-12,20,23H,1-8,13-19,28H2,(H2,29,31,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...				J Med Chem 61: 3855-3869 (2018) Article DOI: 10.1021/acs.jmedchem.7b01529 BindingDB Entry DOI: 10.7270/Q2JH3PR1
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50300690 (1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...				J Med Chem 61: 3855-3869 (2018) Article DOI: 10.1021/acs.jmedchem.7b01529 BindingDB Entry DOI: 10.7270/Q2JH3PR1
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50453199 (CHEMBL4209655) Show SMILES C(Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1)c1ccccc1 Show InChI InChI=1S/C28H33N7O/c1-2-6-21(7-3-1)18-29-28-32-26(25-27(33-28)35(20-30-25)24-8-4-5-9-24)31-23-12-10-22(11-13-23)19-34-14-16-36-17-15-34/h1-3,6-7,10-13,20,24H,4-5,8-9,14-19H2,(H2,29,31,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	624	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...				J Med Chem 61: 3855-3869 (2018) Article DOI: 10.1021/acs.jmedchem.7b01529 BindingDB Entry DOI: 10.7270/Q2JH3PR1
					More data for this Ligand-Target Pair