Compile Data Set for Download or QSAR

Found 356 hits with Last Name = 'bentzien' and Initial = 'f'   

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))	BDBM50420996 (CHEMBL2086760) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of Flt3				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged Flt1 using poly(Glu,Tyr) as substrate after 60 mins by alphascreen assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50420996 (CHEMBL2086760) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394804 (CHEMBL2163828) Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(OC(F)(F)F)cc1 |r,TLB:9:8:1.2.7:5.4| Show InChI InChI=1S/C27H29BrF3N3O3/c28-18-5-1-16(2-6-18)13-23(24(35)34-20-7-8-21(34)15-19(32)14-20)33-25(36)26(11-12-26)17-3-9-22(10-4-17)37-27(29,30)31/h1-6,9-10,19-21,23H,7-8,11-15,32H2,(H,33,36)/t19?,20-,21+,23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50356091 (CHEMBL1911679) Show SMILES CCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG 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
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50421033 (CHEMBL2087167) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3cccc(F)c3)c2c1 |w:17.25| Show InChI InChI=1S/C26H28FN5O/c1-3-32-11-9-19(10-12-32)30-20-7-8-22-21(14-20)24(26(33)31-22)23(25-28-15-16(2)29-25)17-5-4-6-18(27)13-17/h4-8,13-15,19,30H,3,9-12H2,1-2H3,(H,28,29)(H,31,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged PDGFRalpha after 2 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394807 (CHEMBL2163825) Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r,TLB:9:8:1.2.7:5.4| Show InChI InChI=1S/C26H27Cl4N3O2/c27-15-2-1-14(21(29)10-15)9-23(24(34)33-18-4-5-19(33)13-17(31)12-18)32-25(35)26(7-8-26)20-6-3-16(28)11-22(20)30/h1-3,6,10-11,17-19,23H,4-5,7-9,12-13,31H2,(H,32,35)/t17?,18-,19+,23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394820 (CHEMBL2163829) Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O2/c1-31-10-12-32(13-11-31)24(33)23(14-17-16-29-22-5-3-2-4-19(17)22)30-25(34)26(8-9-26)20-7-6-18(27)15-21(20)28/h2-7,15-16,23,29H,8-14H2,1H3,(H,30,34)/t23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394812 (CHEMBL2163838) Show SMILES CN(C)CCN(C)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H27Cl4N3O2/c1-30(2)10-11-31(3)22(32)21(12-15-4-5-16(25)13-19(15)27)29-23(33)24(8-9-24)18-7-6-17(26)14-20(18)28/h4-7,13-14,21H,8-12H2,1-3H3,(H,29,33)/t21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50356090 (CHEMBL1911678) Show SMILES CCCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C24H38N2O4/c1-2-3-4-5-6-7-10-23(27)25-20(18-26-13-8-9-14-26)24(28)19-11-12-21-22(17-19)30-16-15-29-21/h11-12,17,20,24,28H,2-10,13-16,18H2,1H3,(H,25,27)/t20-,24+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50421016 (CHEMBL2086742) Show SMILES COc1ccc2nc([nH]c2c1)C(=C1C(=O)Nc2ccc(cc12)C(O)=O)c1ccccc1 |w:11.12| Show InChI InChI=1S/C24H17N3O4/c1-31-15-8-10-18-19(12-15)26-22(25-18)20(13-5-3-2-4-6-13)21-16-11-14(24(29)30)7-9-17(16)27-23(21)28/h2-12H,1H3,(H,25,26)(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50420996 (CHEMBL2086760) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of RSK2				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50420996 (CHEMBL2086760) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged PDGFRalpha after 2 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394809 (CHEMBL2163823) Show SMILES NC1CCN(CC1)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H26BrCl2N3O2/c25-16-3-1-15(2-4-16)13-21(22(31)30-11-7-18(28)8-12-30)29-23(32)24(9-10-24)19-6-5-17(26)14-20(19)27/h1-6,14,18,21H,7-13,28H2,(H,29,32)/t21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394806 (CHEMBL2163826) Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r,TLB:9:8:1.2.7:5.4| Show InChI InChI=1S/C26H28BrCl2N3O2/c27-16-3-1-15(2-4-16)11-23(24(33)32-19-6-7-20(32)14-18(30)13-19)31-25(34)26(9-10-26)21-8-5-17(28)12-22(21)29/h1-5,8,12,18-20,23H,6-7,9-11,13-14,30H2,(H,31,34)/t18?,19-,20+,23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394805 (CHEMBL2163827) Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(OC(F)(F)F)cc1 |r,TLB:9:8:1.2.7:5.4| Show InChI InChI=1S/C27H28Cl2F3N3O3/c28-17-4-1-15(22(29)12-17)11-23(24(36)35-19-5-6-20(35)14-18(33)13-19)34-25(37)26(9-10-26)16-2-7-21(8-3-16)38-27(30,31)32/h1-4,7-8,12,18-20,23H,5-6,9-11,13-14,33H2,(H,34,37)/t18?,19-,20+,23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394816 (CHEMBL2163833) Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H26Cl3N3O2/c1-29-10-12-30(13-11-29)22(31)21(14-16-2-4-17(25)5-3-16)28-23(32)24(8-9-24)19-7-6-18(26)15-20(19)27/h2-7,15,21H,8-14H2,1H3,(H,28,32)/t21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50421026 (CHEMBL2086753) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1 Show InChI InChI=1S/C29H29N5O/c1-2-34-16-14-20(15-17-34)30-21-12-13-23-22(18-21)27(29(35)33-23)26(19-8-4-3-5-9-19)28-31-24-10-6-7-11-25(24)32-28/h3-13,18,20,30H,2,14-17H2,1H3,(H,31,32)(H,33,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged PDGFRalpha after 2 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50421035 (CHEMBL2087169) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3ccccc3F)c2c1 |w:17.25| Show InChI InChI=1S/C26H28FN5O/c1-3-32-12-10-17(11-13-32)30-18-8-9-22-20(14-18)24(26(33)31-22)23(25-28-15-16(2)29-25)19-6-4-5-7-21(19)27/h4-9,14-15,17,30H,3,10-13H2,1-2H3,(H,28,29)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50421034 (CHEMBL2087168) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3cc(F)cc(F)c3)c2c1 |w:17.25| Show InChI InChI=1S/C26H27F2N5O/c1-3-33-8-6-19(7-9-33)31-20-4-5-22-21(13-20)24(26(34)32-22)23(25-29-14-15(2)30-25)16-10-17(27)12-18(28)11-16/h4-5,10-14,19,31H,3,6-9H2,1-2H3,(H,29,30)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50421028 (CHEMBL2086756) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3cccc(F)c3)c2c1 Show InChI InChI=1S/C29H28FN5O/c1-2-35-14-12-20(13-15-35)31-21-10-11-23-22(17-21)27(29(36)34-23)26(18-6-5-7-19(30)16-18)28-32-24-8-3-4-9-25(24)33-28/h3-11,16-17,20,31H,2,12-15H2,1H3,(H,32,33)(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50421034 (CHEMBL2087168) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3cc(F)cc(F)c3)c2c1 |w:17.25| Show InChI InChI=1S/C26H27F2N5O/c1-3-33-8-6-19(7-9-33)31-20-4-5-22-21(13-20)24(26(34)32-22)23(25-29-14-15(2)30-25)16-10-17(27)12-18(28)11-16/h4-5,10-14,19,31H,3,6-9H2,1-2H3,(H,29,30)(H,32,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged PDGFRalpha after 2 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50420996 (CHEMBL2086760) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of Flt4				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394817 (CHEMBL2163832) Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H25Cl4N3O2/c1-30-8-10-31(11-9-30)22(32)21(12-15-2-3-16(25)13-19(15)27)29-23(33)24(6-7-24)18-5-4-17(26)14-20(18)28/h2-5,13-14,21H,6-12H2,1H3,(H,29,33)/t21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50421029 (CHEMBL2086757) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3cc(F)cc(F)c3)c2c1 Show InChI InChI=1S/C29H27F2N5O/c1-2-36-11-9-20(10-12-36)32-21-7-8-23-22(16-21)27(29(37)35-23)26(17-13-18(30)15-19(31)14-17)28-33-24-5-3-4-6-25(24)34-28/h3-8,13-16,20,32H,2,9-12H2,1H3,(H,33,34)(H,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394807 (CHEMBL2163825) Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r,TLB:9:8:1.2.7:5.4| Show InChI InChI=1S/C26H27Cl4N3O2/c27-15-2-1-14(21(29)10-15)9-23(24(34)33-18-4-5-19(33)13-17(31)12-18)32-25(35)26(7-8-26)20-6-3-16(28)11-22(20)30/h1-3,6,10-11,17-19,23H,4-5,7-9,12-13,31H2,(H,32,35)/t17?,18-,19+,23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50420996 (CHEMBL2086760) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50421033 (CHEMBL2087167) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3cccc(F)c3)c2c1 |w:17.25| Show InChI InChI=1S/C26H28FN5O/c1-3-32-11-9-19(10-12-32)30-20-7-8-22-21(14-20)24(26(33)31-22)23(25-28-15-16(2)29-25)17-5-4-6-18(27)13-17/h4-8,13-15,19,30H,3,9-12H2,1-2H3,(H,28,29)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394811 (CHEMBL2163839) Show SMILES CN(C)CCN(C)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H28BrCl2N3O2/c1-29(2)12-13-30(3)22(31)21(14-16-4-6-17(25)7-5-16)28-23(32)24(10-11-24)19-9-8-18(26)15-20(19)27/h4-9,15,21H,10-14H2,1-3H3,(H,28,32)/t21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50421036 (CHEMBL2086736) Show SMILES OC(=O)c1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1 Show InChI InChI=1S/C23H15N3O3/c27-22-20(15-12-14(23(28)29)10-11-16(15)26-22)19(13-6-2-1-3-7-13)21-24-17-8-4-5-9-18(17)25-21/h1-12H,(H,24,25)(H,26,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50421033 (CHEMBL2087167) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3cccc(F)c3)c2c1 |w:17.25| Show InChI InChI=1S/C26H28FN5O/c1-3-32-11-9-19(10-12-32)30-20-7-8-22-21(14-20)24(26(33)31-22)23(25-28-15-16(2)29-25)17-5-4-6-18(27)13-17/h4-8,13-15,19,30H,3,9-12H2,1-2H3,(H,28,29)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged FGFR1 using poly(Glu,Tyr) as substrate after 30 mins by alphascreen assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50380413 (CHEMBL2018573) Show SMILES Fc1ccc(C[C@@H]2C[C@H](N(C2)C(=O)Cn2nccn2)C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1 |r| Show InChI InChI=1S/C28H25F2N5O3/c29-21-3-1-19(2-4-21)15-20-16-26(34(17-20)27(36)18-35-31-13-14-32-35)28(37)33-23-7-11-25(12-8-23)38-24-9-5-22(30)6-10-24/h1-14,20,26H,15-18H2,(H,33,37)/t20-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry				J Med Chem 55: 1368-81 (2012) Article DOI: 10.1021/jm201533b BindingDB Entry DOI: 10.7270/Q2416Z1H
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50421028 (CHEMBL2086756) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3cccc(F)c3)c2c1 Show InChI InChI=1S/C29H28FN5O/c1-2-35-14-12-20(13-15-35)31-21-10-11-23-22(17-21)27(29(36)34-23)26(18-6-5-7-19(30)16-18)28-32-24-8-3-4-9-25(24)33-28/h3-11,16-17,20,31H,2,12-15H2,1H3,(H,32,33)(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged FGFR1 using poly(Glu,Tyr) as substrate after 30 mins by alphascreen assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50421026 (CHEMBL2086753) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1 Show InChI InChI=1S/C29H29N5O/c1-2-34-16-14-20(15-17-34)30-21-12-13-23-22(18-21)27(29(35)33-23)26(19-8-4-3-5-9-19)28-31-24-10-6-7-11-25(24)32-28/h3-13,18,20,30H,2,14-17H2,1H3,(H,31,32)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged FGFR1 using poly(Glu,Tyr) as substrate after 30 mins by alphascreen assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50421032 (CHEMBL2086754) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccc(C)cc3)c2c1 Show InChI InChI=1S/C30H31N5O/c1-3-35-16-14-21(15-17-35)31-22-12-13-24-23(18-22)28(30(36)34-24)27(20-10-8-19(2)9-11-20)29-32-25-6-4-5-7-26(25)33-29/h4-13,18,21,31H,3,14-17H2,1-2H3,(H,32,33)(H,34,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged PDGFRalpha after 2 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50421014 (CHEMBL2086740) Show SMILES Cc1ccc(cc1)C(=C1C(=O)Nc2ccc(cc12)C(O)=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C24H17N3O3/c1-13-6-8-14(9-7-13)20(22-25-18-4-2-3-5-19(18)26-22)21-16-12-15(24(29)30)10-11-17(16)27-23(21)28/h2-12H,1H3,(H,25,26)(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50421035 (CHEMBL2087169) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3ccccc3F)c2c1 |w:17.25| Show InChI InChI=1S/C26H28FN5O/c1-3-32-12-10-17(11-13-32)30-18-8-9-22-20(14-18)24(26(33)31-22)23(25-28-15-16(2)29-25)19-6-4-5-7-21(19)27/h4-9,14-15,17,30H,3,10-13H2,1-2H3,(H,28,29)(H,31,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged PDGFRalpha after 2 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50380418 (CHEMBL2018571) Show SMILES Fc1ccc(C[C@@H]2C[C@H](N(C2)C(=O)Cn2ccnn2)C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1 |r| Show InChI InChI=1S/C28H25F2N5O3/c29-21-3-1-19(2-4-21)15-20-16-26(35(17-20)27(36)18-34-14-13-31-33-34)28(37)32-23-7-11-25(12-8-23)38-24-9-5-22(30)6-10-24/h1-14,20,26H,15-18H2,(H,32,37)/t20-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry				J Med Chem 55: 1368-81 (2012) Article DOI: 10.1021/jm201533b BindingDB Entry DOI: 10.7270/Q2416Z1H
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50380417 (CHEMBL2018485) Show SMILES Fc1ccc(C[C@@H]2C[C@H](N(C2)C(=O)Cn2cncn2)C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1 |r| Show InChI InChI=1S/C28H25F2N5O3/c29-21-3-1-19(2-4-21)13-20-14-26(35(15-20)27(36)16-34-18-31-17-32-34)28(37)33-23-7-11-25(12-8-23)38-24-9-5-22(30)6-10-24/h1-12,17-18,20,26H,13-16H2,(H,33,37)/t20-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry				J Med Chem 55: 1368-81 (2012) Article DOI: 10.1021/jm201533b BindingDB Entry DOI: 10.7270/Q2416Z1H
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50421031 (CHEMBL2086759) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3cccc(F)c3)c2c1 Show InChI InChI=1S/C25H26FN5O/c1-2-31-12-8-18(9-13-31)29-19-6-7-21-20(15-19)23(25(32)30-21)22(24-27-10-11-28-24)16-4-3-5-17(26)14-16/h3-7,10-11,14-15,18,29H,2,8-9,12-13H2,1H3,(H,27,28)(H,30,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged PDGFRalpha after 2 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50420996 (CHEMBL2086760) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged FGFR1 using poly(Glu,Tyr) as substrate after 30 mins by alphascreen assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50421026 (CHEMBL2086753) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1 Show InChI InChI=1S/C29H29N5O/c1-2-34-16-14-20(15-17-34)30-21-12-13-23-22(18-21)27(29(35)33-23)26(19-8-4-3-5-9-19)28-31-24-10-6-7-11-25(24)32-28/h3-13,18,20,30H,2,14-17H2,1H3,(H,31,32)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50421033 (CHEMBL2087167) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3cccc(F)c3)c2c1 |w:17.25| Show InChI InChI=1S/C26H28FN5O/c1-3-32-11-9-19(10-12-32)30-20-7-8-22-21(14-20)24(26(33)31-22)23(25-28-15-16(2)29-25)17-5-4-6-18(27)13-17/h4-8,13-15,19,30H,3,9-12H2,1-2H3,(H,28,29)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of KDR in human HUVEC cells assessed as inhibition of VEGF-induced ERK phosphorylation incubated for 1 hr prior to VEGF-stimulation measur...				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50420997 (CHEMBL2086751) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccc(OC)cc4[nH]3)c3ccccc3)c2c1 |w:17.18| Show InChI InChI=1S/C30H31N5O2/c1-3-35-15-13-20(14-16-35)31-21-9-11-24-23(17-21)28(30(36)34-24)27(19-7-5-4-6-8-19)29-32-25-12-10-22(37-2)18-26(25)33-29/h4-12,17-18,20,31H,3,13-16H2,1-2H3,(H,32,33)(H,34,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged PDGFRalpha after 2 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50421029 (CHEMBL2086757) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3cc(F)cc(F)c3)c2c1 Show InChI InChI=1S/C29H27F2N5O/c1-2-36-11-9-20(10-12-36)32-21-7-8-23-22(16-21)27(29(37)35-23)26(17-13-18(30)15-19(31)14-17)28-33-24-5-3-4-6-25(24)34-28/h3-8,13-16,20,32H,2,9-12H2,1H3,(H,33,34)(H,35,37)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged PDGFRalpha after 2 hrs by luciferase-luciferin coupled chemiluminescence assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394820 (CHEMBL2163829) Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O2/c1-31-10-12-32(13-11-31)24(33)23(14-17-16-29-22-5-3-2-4-19(17)22)30-25(34)26(8-9-26)20-7-6-18(27)15-21(20)28/h2-7,15-16,23,29H,8-14H2,1H3,(H,30,34)/t23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50380410 (CHEMBL2018484) Show SMILES Fc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H](Cc4ccccc4)CN3C(=O)Cn3cncn3)cc2)cc1 |r| Show InChI InChI=1S/C28H26FN5O3/c29-22-6-10-24(11-7-22)37-25-12-8-23(9-13-25)32-28(36)26-15-21(14-20-4-2-1-3-5-20)16-34(26)27(35)17-33-19-30-18-31-33/h1-13,18-19,21,26H,14-17H2,(H,32,36)/t21-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry				J Med Chem 55: 1368-81 (2012) Article DOI: 10.1021/jm201533b BindingDB Entry DOI: 10.7270/Q2416Z1H
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394815 (CHEMBL2163834) Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H26BrCl2N3O2/c1-29-10-12-30(13-11-29)22(31)21(14-16-2-4-17(25)5-3-16)28-23(32)24(8-9-24)19-7-6-18(26)15-20(19)27/h2-7,15,21H,8-14H2,1H3,(H,28,32)/t21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50421034 (CHEMBL2087168) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3cc(F)cc(F)c3)c2c1 |w:17.25| Show InChI InChI=1S/C26H27F2N5O/c1-3-33-8-6-19(7-9-33)31-20-4-5-22-21(13-20)24(26(34)32-22)23(25-29-14-15(2)30-25)16-10-17(27)12-18(28)11-16/h4-5,10-14,19,31H,3,6-9H2,1-2H3,(H,29,30)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged FGFR1 using poly(Glu,Tyr) as substrate after 30 mins by alphascreen assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50420996 (CHEMBL2086760) Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged Flt1 using poly(Glu,Tyr) as substrate after 60 mins by alphascreen assay				Bioorg Med Chem Lett 22: 4979-85 (2012) Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4
					More data for this Ligand-Target Pair

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