BDBM50173586 CHEMBL3808921

SMILES: C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1(CC1)C(F)(F)F

InChI Key: InChIKey=WGGSXHRZQATNAN-ZDUSSCGKSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50173586   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50173586 (CHEMBL3808921) Show SMILES C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C24H21F3N6O3/c1-13-8-16-17(11-28-13)29-12-30-21(16)35-15-2-3-18-14(9-15)4-7-33(18)22(34)31-20-10-19(36-32-20)23(5-6-23)24(25,26)27/h2-4,7,9-10,12-13,28H,5-6,8,11H2,1H3,(H,31,32,34)/t13-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Binding affinity to human ERG by radioligand binding assay				ACS Med Chem Lett 7: 357-62 (2016) BindingDB Entry DOI: 10.7270/Q2862JCG
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50173586 (CHEMBL3808921) Show SMILES C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C24H21F3N6O3/c1-13-8-16-17(11-28-13)29-12-30-21(16)35-15-2-3-18-14(9-15)4-7-33(18)22(34)31-20-10-19(36-32-20)23(5-6-23)24(25,26)27/h2-4,7,9-10,12-13,28H,5-6,8,11H2,1H3,(H,31,32,34)/t13-/m0/s1	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells				J Med Chem 61: 1622-1635 (2018) Article DOI: 10.1021/acs.jmedchem.7b01731 BindingDB Entry DOI: 10.7270/Q22F7QZM
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50173586 (CHEMBL3808921) Show SMILES C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C24H21F3N6O3/c1-13-8-16-17(11-28-13)29-12-30-21(16)35-15-2-3-18-14(9-15)4-7-33(18)22(34)31-20-10-19(36-32-20)23(5-6-23)24(25,26)27/h2-4,7,9-10,12-13,28H,5-6,8,11H2,1H3,(H,31,32,34)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin)				ACS Med Chem Lett 7: 357-62 (2016) BindingDB Entry DOI: 10.7270/Q2862JCG
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50173586 (CHEMBL3808921) Show SMILES C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C24H21F3N6O3/c1-13-8-16-17(11-28-13)29-12-30-21(16)35-15-2-3-18-14(9-15)4-7-33(18)22(34)31-20-10-19(36-32-20)23(5-6-23)24(25,26)27/h2-4,7,9-10,12-13,28H,5-6,8,11H2,1H3,(H,31,32,34)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of Tel fused KDR (unknown origin) expressed in BaF3 cells				ACS Med Chem Lett 7: 357-62 (2016) BindingDB Entry DOI: 10.7270/Q2862JCG
					More data for this Ligand-Target Pair