Compile Data Set for Download or QSAR

Found 1099 hits with Last Name = 'saxty' and Initial = 'g'   

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
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50450049 (CHEMBL4166057) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc23)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 |r| Show InChI InChI=1S/C31H44FN5O3/c1-20-13-35(26(12-33-20)14-36-21(2)17-40-18-22(36)3)15-29(39)37-19-31(4,5)30-28(37)11-24(27(16-38)34-30)10-23-6-8-25(32)9-7-23/h6-9,11,20-22,26,33,38H,10,12-19H2,1-5H3/t20-,21-,22-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrs				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50450044 (CHEMBL4167141) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc23)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 |r| Show InChI InChI=1S/C30H42FN5O3/c1-19-13-34(25(12-32-19)14-35-20(2)16-39-17-21(35)3)15-27(37)36-18-30(4,5)28-26(36)11-23(29(38)33-28)10-22-6-8-24(31)9-7-22/h6-9,11,19-21,25,32H,10,12-18H2,1-5H3,(H,33,38)/t19-,20-,21-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrs				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50450038 (CHEMBL4171490) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4F)cc23)[C@@H](CN2Cc3c(cccc3F)C2=O)CN1 |r| Show InChI InChI=1S/C31H33F3N6O2/c1-18-13-38(22(12-35-18)14-39-15-24-23(30(39)42)5-4-6-25(24)33)16-28(41)40-17-31(2,3)29-27(40)11-21(36-37-29)9-19-7-8-20(32)10-26(19)34/h4-8,10-11,18,22,35H,9,12-17H2,1-3H3/t18-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrs				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50450047 (CHEMBL4169478) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3c2cc(Cc2ccc(F)cc2)c(=O)n3C)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 |r| Show InChI InChI=1S/C31H44FN5O3/c1-20-14-35(26(13-33-20)15-36-21(2)17-40-18-22(36)3)16-28(38)37-19-31(4,5)29-27(37)12-24(30(39)34(29)6)11-23-7-9-25(32)10-8-23/h7-10,12,20-22,26,33H,11,13-19H2,1-6H3/t20-,21-,22-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrs				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50450043 (CHEMBL4166607) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 |r| Show InChI InChI=1S/C30H42FN5O2/c1-20-14-34(26(13-32-20)15-35-21(2)17-38-18-22(35)3)16-28(37)36-19-30(4,5)29-27(36)11-24(12-33-29)10-23-6-8-25(31)9-7-23/h6-9,11-12,20-22,26,32H,10,13-19H2,1-5H3/t20-,21-,22-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrs				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50450037 (CHEMBL4164271) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4F)cc23)[C@@H](CN2Cc3cc(F)ccc3C2=O)CN1 |r| Show InChI InChI=1S/C31H33F3N6O2/c1-18-13-38(24(12-35-18)15-39-14-20-8-21(32)6-7-25(20)30(39)42)16-28(41)40-17-31(2,3)29-27(40)11-23(36-37-29)9-19-4-5-22(33)10-26(19)34/h4-8,10-11,18,24,35H,9,12-17H2,1-3H3/t18-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrs				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50450046 (CHEMBL4173974) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 |r| Show InChI InChI=1S/C30H42FN5O3/c1-20-14-35(25(13-32-20)15-34-9-10-39-18-21(34)2)16-28(38)36-19-30(3,4)29-27(36)12-23(26(17-37)33-29)11-22-5-7-24(31)8-6-22/h5-8,12,20-21,25,32,37H,9-11,13-19H2,1-4H3/t20-,21-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrs				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50239425 (CHEMBL4064619) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 |r| Show InChI InChI=1S/C29H40FN5O2/c1-20-15-34(25(14-31-20)16-33-9-10-37-18-21(33)2)17-27(36)35-19-29(3,4)28-26(35)12-23(13-32-28)11-22-5-7-24(30)8-6-22/h5-8,12-13,20-21,25,31H,9-11,14-19H2,1-4H3/t20-,21-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrs				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50450039 (CHEMBL4160872) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4F)cc23)[C@@H](CN2Cc3ccccc3C2=O)CN1 |r| Show InChI InChI=1S/C31H34F2N6O2/c1-19-14-37(24(13-34-19)16-38-15-21-6-4-5-7-25(21)30(38)41)17-28(40)39-18-31(2,3)29-27(39)12-23(35-36-29)10-20-8-9-22(32)11-26(20)33/h4-9,11-12,19,24,34H,10,13-18H2,1-3H3/t19-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrs				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM523902 (2-amino-N-[1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES Nc1cc(ccn1)C(=O)NC1CCN(CC1)c1ncnc2[nH]cc(Cl)c12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ASK1 and ASK2 biochemical activities were also quantified using AlphaScreen technology which measures the degree of phosphorylation of a protein subs...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W95DB4
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50441356 (CHEMBL2431768) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrs				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128502 (US8796244, 81) Show SMILES CC(C)(CO)Nc1ccc(nn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C24H24F3N7O2/c1-23(2,14-35)31-20-7-6-18(32-33-20)15-8-9-34-19(12-28-21(34)11-15)16-4-3-5-17(10-16)30-22(36)29-13-24(25,26)27/h3-12,35H,13-14H2,1-2H3,(H,31,33)(H2,29,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.447	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128624 (US8796244, 213) Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1nccc(n1)-n1ccnc1 Show InChI InChI=1S/C23H17F3N8O/c24-23(25,26)13-30-22(35)31-17-3-1-2-15(10-17)18-12-29-20-11-16(5-8-34(18)20)21-28-6-4-19(32-21)33-9-7-27-14-33/h1-12,14H,13H2,(H2,30,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128551 (US8796244, 133) Show SMILES OC1CCCN(C1)c1ccc(nn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C25H24F3N7O2/c26-25(27,28)15-30-24(37)31-18-4-1-3-17(11-18)21-13-29-23-12-16(8-10-35(21)23)20-6-7-22(33-32-20)34-9-2-5-19(36)14-34/h1,3-4,6-8,10-13,19,36H,2,5,9,14-15H2,(H2,30,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.484	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM139913 (US8895745, 375) Show SMILES Cn1cnc(c1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C20H17F3N6O/c1-28-10-16(26-12-28)13-5-6-29-17(9-24-18(29)8-13)14-3-2-4-15(7-14)27-19(30)25-11-20(21,22)23/h2-10,12H,11H2,1H3,(H2,25,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Limited US Patent					Assay Description Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...				US Patent US8895745 (2014) BindingDB Entry DOI: 10.7270/Q2833QQC
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128659 (US8796244, 250) Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1nnc(NC2CC2)s1 Show InChI InChI=1S/C21H18F3N7OS/c22-21(23,24)11-26-19(32)27-15-3-1-2-12(8-15)16-10-25-17-9-13(6-7-31(16)17)18-29-30-20(33-18)28-14-4-5-14/h1-3,6-10,14H,4-5,11H2,(H,28,30)(H2,26,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128516 (US8796244, 95) Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1ccc(nn1)N1CCNC(=O)C1 Show InChI InChI=1S/C24H21F3N8O2/c25-24(26,27)14-30-23(37)31-17-3-1-2-16(10-17)19-12-29-21-11-15(6-8-35(19)21)18-4-5-20(33-32-18)34-9-7-28-22(36)13-34/h1-6,8,10-12H,7,9,13-14H2,(H,28,36)(H2,30,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.530	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128496 (US8796244, 75) Show SMILES NC1CCN(CC1)c1ccc(nn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C25H25F3N8O/c26-25(27,28)15-31-24(37)32-19-3-1-2-17(12-19)21-14-30-23-13-16(6-11-36(21)23)20-4-5-22(34-33-20)35-9-7-18(29)8-10-35/h1-6,11-14,18H,7-10,15,29H2,(H2,31,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.535	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128668 (US8796244, 261) Show SMILES Nc1nnc(s1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C18H14F3N7OS/c19-18(20,21)9-24-17(29)25-12-3-1-2-10(6-12)13-8-23-14-7-11(4-5-28(13)14)15-26-27-16(22)30-15/h1-8H,9H2,(H2,22,27)(H2,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.540	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128468 (US8796244, 47) Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1cnn(c1)C1CCOC1 Show InChI InChI=1S/C23H21F3N6O2/c24-23(25,26)14-28-22(33)30-18-3-1-2-16(8-18)20-11-27-21-9-15(4-6-31(20)21)17-10-29-32(12-17)19-5-7-34-13-19/h1-4,6,8-12,19H,5,7,13-14H2,(H2,28,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.542	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128427 (US8796244, 6) Show SMILES CN1CCC(CC1)n1cc(cn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C25H26F3N7O/c1-33-8-6-21(7-9-33)35-15-19(13-31-35)17-5-10-34-22(14-29-23(34)12-17)18-3-2-4-20(11-18)32-24(36)30-16-25(26,27)28/h2-5,10-15,21H,6-9,16H2,1H3,(H2,30,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.545	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128428 (US8796244, 7) Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1ccc(nn1)N1CCCCC1 Show InChI InChI=1S/C25H24F3N7O/c26-25(27,28)16-30-24(36)31-19-6-4-5-18(13-19)21-15-29-23-14-17(9-12-35(21)23)20-7-8-22(33-32-20)34-10-2-1-3-11-34/h4-9,12-15H,1-3,10-11,16H2,(H2,30,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128561 (US8796244, 145) Show SMILES CC(=O)N1CCN(CC1)c1ccc(cn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C27H26F3N7O2/c1-18(38)35-9-11-36(12-10-35)24-6-5-21(15-31-24)19-7-8-37-23(16-32-25(37)14-19)20-3-2-4-22(13-20)34-26(39)33-17-27(28,29)30/h2-8,13-16H,9-12,17H2,1H3,(H2,33,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128488 (US8796244, 67) Show SMILES OCCNc1ccc(nn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N7O2/c23-22(24,25)13-28-21(34)29-16-3-1-2-15(10-16)18-12-27-20-11-14(6-8-32(18)20)17-4-5-19(31-30-17)26-7-9-33/h1-6,8,10-12,33H,7,9,13H2,(H,26,31)(H2,28,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.569	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128425 (US8796244, 4) Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C24H24F3N7O/c25-24(26,27)15-30-23(35)32-19-3-1-2-17(10-19)21-13-29-22-11-16(6-9-33(21)22)18-12-31-34(14-18)20-4-7-28-8-5-20/h1-3,6,9-14,20,28H,4-5,7-8,15H2,(H2,30,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128465 (US8796244, 44) Show SMILES CCN1CCC(C1)N=CC(C=N)c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 |w:7.7| Show InChI InChI=1S/C25H28F3N7O/c1-2-34-8-7-21(15-34)30-13-19(12-29)17-6-9-35-22(14-31-23(35)11-17)18-4-3-5-20(10-18)33-24(36)32-16-25(26,27)28/h3-6,9-14,19,21,29H,2,7-8,15-16H2,1H3,(H2,32,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.582	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50450054 (CHEMBL4159232) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4O)cc23)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 |r| Show InChI InChI=1S/C30H42FN5O3/c1-19-13-34(25(12-32-19)14-35-20(2)16-39-17-21(35)3)15-28(38)36-18-30(4,5)29-26(36)9-22(11-33-29)8-23-6-7-24(31)10-27(23)37/h6-7,9-11,19-21,25,32,37H,8,12-18H2,1-5H3/t19-,20-,21-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrs				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128466 (US8796244, 45) Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1cnn(c1)C1CCNC1 Show InChI InChI=1S/C23H22F3N7O/c24-23(25,26)14-29-22(34)31-18-3-1-2-16(8-18)20-12-28-21-9-15(5-7-32(20)21)17-10-30-33(13-17)19-4-6-27-11-19/h1-3,5,7-10,12-13,19,27H,4,6,11,14H2,(H2,29,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.603	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128534 (US8796244, 113) Show SMILES CN(C)c1ccc(nn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N7O/c1-31(2)19-7-6-17(29-30-19)14-8-9-32-18(12-26-20(32)11-14)15-4-3-5-16(10-15)28-21(33)27-13-22(23,24)25/h3-12H,13H2,1-2H3,(H2,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.610	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128459 (US8796244, 38) Show SMILES CN1CCCC(C1)N=CC(C=N)c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 |w:7.7| Show InChI InChI=1S/C25H28F3N7O/c1-34-8-3-6-21(15-34)30-13-19(12-29)17-7-9-35-22(14-31-23(35)11-17)18-4-2-5-20(10-18)33-24(36)32-16-25(26,27)28/h2,4-5,7,9-14,19,21,29H,3,6,8,15-16H2,1H3,(H2,32,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.610	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128461 (US8796244, 40) Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1cnn(c1)C1CCCNC1 Show InChI InChI=1S/C24H24F3N7O/c25-24(26,27)15-30-23(35)32-19-4-1-3-17(9-19)21-13-29-22-10-16(6-8-33(21)22)18-11-31-34(14-18)20-5-2-7-28-12-20/h1,3-4,6,8-11,13-14,20,28H,2,5,7,12,15H2,(H2,30,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.612	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128453 (US8796244, 32) Show SMILES CC(C)N1CC(C1)N=CC(C=N)c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 |w:7.7| Show InChI InChI=1S/C25H28F3N7O/c1-16(2)34-13-21(14-34)30-11-19(10-29)17-6-7-35-22(12-31-23(35)9-17)18-4-3-5-20(8-18)33-24(36)32-15-25(26,27)28/h3-12,16,19,21,29H,13-15H2,1-2H3,(H2,32,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.613	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50450042 (CHEMBL4168197) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[C@@H](CN2[C@@H](C)COC[C@H]2C)CN1 |r| Show InChI InChI=1S/C30H42FN5O2/c1-20-14-34(26(13-32-20)15-35-21(2)17-38-18-22(35)3)16-28(37)36-19-30(4,5)29-27(36)11-24(12-33-29)10-23-6-8-25(31)9-7-23/h6-9,11-12,20-22,26,32H,10,13-19H2,1-5H3/t20-,21-,22+,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrs				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128436 (US8796244, 15) Show SMILES NC(=CCC(=N)N1CCOCC1)c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 |w:2.2| Show InChI InChI=1S/C24H26F3N7O2/c25-24(26,27)15-31-23(35)32-18-3-1-2-17(12-18)20-14-30-22-13-16(6-7-34(20)22)19(28)4-5-21(29)33-8-10-36-11-9-33/h1-4,6-7,12-14,29H,5,8-11,15,28H2,(H2,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.640	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128725 (US8796244, 319) Show SMILES COCCc1nnc(s1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C21H19F3N6O2S/c1-32-8-6-18-28-29-19(33-18)14-5-7-30-16(11-25-17(30)10-14)13-3-2-4-15(9-13)27-20(31)26-12-21(22,23)24/h2-5,7,9-11H,6,8,12H2,1H3,(H2,26,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.643	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128474 (US8796244, 53) Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1nc2CCNCc2s1 Show InChI InChI=1S/C22H19F3N6OS/c23-22(24,25)12-28-21(32)29-15-3-1-2-13(8-15)17-10-27-19-9-14(5-7-31(17)19)20-30-16-4-6-26-11-18(16)33-20/h1-3,5,7-10,26H,4,6,11-12H2,(H2,28,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.675	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50450048 (CHEMBL4177336) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cc(=O)n(Cc4ccc(F)cc4)cc23)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 |r| Show InChI InChI=1S/C30H42FN5O3/c1-20-12-33(25(11-32-20)14-35-21(2)17-39-18-22(35)3)16-29(38)36-19-30(4,5)26-10-28(37)34(15-27(26)36)13-23-6-8-24(31)9-7-23/h6-10,15,20-22,25,32H,11-14,16-19H2,1-5H3/t20-,21-,22-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrs				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128443 (US8796244, 22) Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1nnc(CCN2CCCCC2)s1 Show InChI InChI=1S/C25H26F3N7OS/c26-25(27,28)16-30-24(36)31-19-6-4-5-17(13-19)20-15-29-21-14-18(7-12-35(20)21)23-33-32-22(37-23)8-11-34-9-2-1-3-10-34/h4-7,12-15H,1-3,8-11,16H2,(H2,30,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.704	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128543 (US8796244, 122) Show SMILES OCCc1ccc(nc1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)14-29-22(33)30-18-3-1-2-17(10-18)20-13-28-21-11-16(6-8-31(20)21)19-5-4-15(7-9-32)12-27-19/h1-6,8,10-13,32H,7,9,14H2,(H2,29,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.704	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM139918 (US8895745, 401) Show SMILES OCCn1cc(cn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C21H19F3N6O2/c22-21(23,24)13-26-20(32)28-17-3-1-2-15(8-17)18-11-25-19-9-14(4-5-30(18)19)16-10-27-29(12-16)6-7-31/h1-5,8-12,31H,6-7,13H2,(H2,26,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.704	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Limited US Patent					Assay Description Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...				US Patent US8895745 (2014) BindingDB Entry DOI: 10.7270/Q2833QQC
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128550 (US8796244, 132) Show SMILES CNc1ccc(nn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C21H18F3N7O/c1-25-18-6-5-16(29-30-18)13-7-8-31-17(11-26-19(31)10-13)14-3-2-4-15(9-14)28-20(32)27-12-21(22,23)24/h2-11H,12H2,1H3,(H,25,30)(H2,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.710	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128503 (US8796244, 82) Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1ccc(nn1)N1CCC1 Show InChI InChI=1S/C23H20F3N7O/c24-23(25,26)14-28-22(34)29-17-4-1-3-16(11-17)19-13-27-21-12-15(7-10-33(19)21)18-5-6-20(31-30-18)32-8-2-9-32/h1,3-7,10-13H,2,8-9,14H2,(H2,28,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.715	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128497 (US8796244, 76) Show SMILES CN1CCC(CC1)Nc1ccc(nn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C26H27F3N8O/c1-36-10-8-19(9-11-36)32-23-6-5-21(34-35-23)17-7-12-37-22(15-30-24(37)14-17)18-3-2-4-20(13-18)33-25(38)31-16-26(27,28)29/h2-7,12-15,19H,8-11,16H2,1H3,(H,32,35)(H2,31,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128491 (US8796244, 70) Show SMILES CN(C)C(=O)C(C)(C)N=CC(C=N)c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 |w:8.7| Show InChI InChI=1S/C25H28F3N7O2/c1-24(2,22(36)34(3)4)32-13-18(12-29)16-8-9-35-20(14-30-21(35)11-16)17-6-5-7-19(10-17)33-23(37)31-15-25(26,27)28/h5-14,18,29H,15H2,1-4H3,(H2,31,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.740	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50450051 (CHEMBL4174922) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4F)cc23)[C@@H](CN2Cc3ccc(F)cc3C2=O)CN1 |r| Show InChI InChI=1S/C31H33F3N6O2/c1-18-13-38(24(12-35-18)15-39-14-20-5-7-21(32)9-25(20)30(39)42)16-28(41)40-17-31(2,3)29-27(40)11-23(36-37-29)8-19-4-6-22(33)10-26(19)34/h4-7,9-11,18,24,35H,8,12-17H2,1-3H3/t18-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrs				J Med Chem 61: 7314-7329 (2018) Article DOI: 10.1021/acs.jmedchem.8b00900 BindingDB Entry DOI: 10.7270/Q2TT4THH
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM139909 (US8895745, 310) Show SMILES Cc1nnc(s1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C19H15F3N6OS/c1-11-26-27-17(30-11)13-5-6-28-15(9-23-16(28)8-13)12-3-2-4-14(7-12)25-18(29)24-10-19(20,21)22/h2-9H,10H2,1H3,(H2,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.780	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Limited US Patent					Assay Description Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...				US Patent US8895745 (2014) BindingDB Entry DOI: 10.7270/Q2833QQC
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128545 (US8796244, 124) Show SMILES Nc1ccc(nc1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C21H17F3N6O/c22-21(23,24)12-28-20(31)29-16-3-1-2-14(8-16)18-11-27-19-9-13(6-7-30(18)19)17-5-4-15(25)10-26-17/h1-11H,12,25H2,(H2,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.789	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM139914 (US8895745, 378) Show SMILES Cc1c(nnn1C)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C20H18F3N7O/c1-12-18(27-28-29(12)2)14-6-7-30-16(10-24-17(30)9-14)13-4-3-5-15(8-13)26-19(31)25-11-20(21,22)23/h3-10H,11H2,1-2H3,(H2,25,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.790	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Limited US Patent					Assay Description Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...				US Patent US8895745 (2014) BindingDB Entry DOI: 10.7270/Q2833QQC
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128458 (US8796244, 37) Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1cnn(c1)C1CNC1 Show InChI InChI=1S/C22H20F3N7O/c23-22(24,25)13-28-21(33)30-17-3-1-2-15(6-17)19-11-27-20-7-14(4-5-31(19)20)16-8-29-32(12-16)18-9-26-10-18/h1-8,11-12,18,26H,9-10,13H2,(H2,28,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.807	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128457 (US8796244, 36) Show SMILES CN(C)C1CCN(CC1)c1ccc(nn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C27H29F3N8O/c1-36(2)21-9-11-37(12-10-21)24-7-6-22(34-35-24)18-8-13-38-23(16-31-25(38)15-18)19-4-3-5-20(14-19)33-26(39)32-17-27(28,29)30/h3-8,13-16,21H,9-12,17H2,1-2H3,(H2,32,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.820	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair

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