Compile Data Set for Download or QSAR

Found 9 hits of ic50 data for complexid = 50000682   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Transcription factor ETV6/Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50538516 (CHEMBL4643578) Show SMILES COC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnn2c(N)c(c(NC3CC(C)(C)N(C)C(C)(C)C3)nc12)-c1ccccc1 Show InChI InChI=1S/C35H44N8O3/c1-34(2)20-26(21-35(3,4)40(34)5)38-30-28(24-10-8-7-9-11-24)29(36)43-31(39-30)27(22-37-43)23-12-14-25(15-13-23)32(44)41-16-18-42(19-17-41)33(45)46-6/h7-15,22,26H,16-21,36H2,1-6H3,(H,38,39)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of TEL/KDR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luc...				ACS Med Chem Lett 11: 558-565 (2020) Article DOI: 10.1021/acsmedchemlett.0c00015 BindingDB Entry DOI: 10.7270/Q29S1VJ7
					More data for this Ligand-Target Pair
Transcription factor ETV6/Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50538514 (CHEMBL4644274) Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(c(NC3CC(C)(C)N(C)C(C)(C)C3)nc12)-c1ccccc1 Show InChI InChI=1S/C30H38N6O2/c1-29(2)16-21(17-30(3,4)35(29)5)33-27-25(19-11-9-8-10-12-19)26(31)36-28(34-27)22(18-32-36)20-13-14-23(37-6)24(15-20)38-7/h8-15,18,21H,16-17,31H2,1-7H3,(H,33,34)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of TEL/KDR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luc...				ACS Med Chem Lett 11: 558-565 (2020) Article DOI: 10.1021/acsmedchemlett.0c00015 BindingDB Entry DOI: 10.7270/Q29S1VJ7
					More data for this Ligand-Target Pair
Transcription factor ETV6/Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50538517 (CHEMBL4639022) Show SMILES CN1C(C)(C)CC(CC1(C)C)Nc1nc2c(cnn2c(N)c1-c1ccccc1)-c1ccc(cc1)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C34H44N8O3S/c1-33(2)20-26(21-34(3,4)39(33)5)37-30-28(24-10-8-7-9-11-24)29(35)42-31(38-30)27(22-36-42)23-12-14-25(15-13-23)32(43)40-16-18-41(19-17-40)46(6,44)45/h7-15,22,26H,16-21,35H2,1-6H3,(H,37,38)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of TEL/KDR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luc...				ACS Med Chem Lett 11: 558-565 (2020) Article DOI: 10.1021/acsmedchemlett.0c00015 BindingDB Entry DOI: 10.7270/Q29S1VJ7
					More data for this Ligand-Target Pair
Transcription factor ETV6/Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50538515 (CHEMBL4636056) Show SMILES [H][C@]12CN(C(=O)c3ccc(cc3)-c3cnn4c(N)c(c(NC5CC(C)(C)N(C)C(C)(C)C5)nc34)-c3ccccc3)[C@]([H])(CO1)C2 |r| Show InChI InChI=1S/C34H41N7O2/c1-33(2)16-24(17-34(3,4)39(33)5)37-30-28(22-9-7-6-8-10-22)29(35)41-31(38-30)27(18-36-41)21-11-13-23(14-12-21)32(42)40-19-26-15-25(40)20-43-26/h6-14,18,24-26H,15-17,19-20,35H2,1-5H3,(H,37,38)/t25-,26-/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of TEL/KDR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luc...				ACS Med Chem Lett 11: 558-565 (2020) Article DOI: 10.1021/acsmedchemlett.0c00015 BindingDB Entry DOI: 10.7270/Q29S1VJ7
					More data for this Ligand-Target Pair
Transcription factor ETV6/Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50538507 (CHEMBL4640601) Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12 Show InChI InChI=1S/C26H29N5O3/c1-30-13-11-19(12-14-30)34-26-23(17-7-5-4-6-8-17)24(27)31-25(29-26)20(16-28-31)18-9-10-21(32-2)22(15-18)33-3/h4-10,15-16,19H,11-14,27H2,1-3H3	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of TEL/KDR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luc...				ACS Med Chem Lett 11: 558-565 (2020) Article DOI: 10.1021/acsmedchemlett.0c00015 BindingDB Entry DOI: 10.7270/Q29S1VJ7
					More data for this Ligand-Target Pair
Transcription factor ETV6/Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50538511 (CHEMBL4642409) Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OCCCN(C)C)nc12 Show InChI InChI=1S/C25H29N5O3/c1-29(2)13-8-14-33-25-22(17-9-6-5-7-10-17)23(26)30-24(28-25)19(16-27-30)18-11-12-20(31-3)21(15-18)32-4/h5-7,9-12,15-16H,8,13-14,26H2,1-4H3	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of TEL/KDR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luc...				ACS Med Chem Lett 11: 558-565 (2020) Article DOI: 10.1021/acsmedchemlett.0c00015 BindingDB Entry DOI: 10.7270/Q29S1VJ7
					More data for this Ligand-Target Pair
Transcription factor ETV6/Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50538512 (CHEMBL4638840) Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(c(NC3CCN(C)CC3)nc12)-c1ccccc1 Show InChI InChI=1S/C26H30N6O2/c1-31-13-11-19(12-14-31)29-25-23(17-7-5-4-6-8-17)24(27)32-26(30-25)20(16-28-32)18-9-10-21(33-2)22(15-18)34-3/h4-10,15-16,19H,11-14,27H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of TEL/KDR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luc...				ACS Med Chem Lett 11: 558-565 (2020) Article DOI: 10.1021/acsmedchemlett.0c00015 BindingDB Entry DOI: 10.7270/Q29S1VJ7
					More data for this Ligand-Target Pair
Transcription factor ETV6/Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50538510 (CHEMBL4640989) Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCNCC3)nc12 Show InChI InChI=1S/C25H27N5O3/c1-31-20-9-8-17(14-21(20)32-2)19-15-28-30-23(26)22(16-6-4-3-5-7-16)25(29-24(19)30)33-18-10-12-27-13-11-18/h3-9,14-15,18,27H,10-13,26H2,1-2H3	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of TEL/KDR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luc...				ACS Med Chem Lett 11: 558-565 (2020) Article DOI: 10.1021/acsmedchemlett.0c00015 BindingDB Entry DOI: 10.7270/Q29S1VJ7
					More data for this Ligand-Target Pair
Transcription factor ETV6/Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50538513 (CHEMBL4636800) Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(c(NCCCN(C)C)nc12)-c1ccccc1 Show InChI InChI=1S/C25H30N6O2/c1-30(2)14-8-13-27-24-22(17-9-6-5-7-10-17)23(26)31-25(29-24)19(16-28-31)18-11-12-20(32-3)21(15-18)33-4/h5-7,9-12,15-16H,8,13-14,26H2,1-4H3,(H,27,29)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of TEL/KDR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luc...				ACS Med Chem Lett 11: 558-565 (2020) Article DOI: 10.1021/acsmedchemlett.0c00015 BindingDB Entry DOI: 10.7270/Q29S1VJ7
					More data for this Ligand-Target Pair