BDBM50389989 CHEMBL2071217

SMILES: NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(Cc3ccccc3)c2)ncc1Cl

InChI Key: InChIKey=ZGMGZBILRTWEQE-LVFSCSRESA-N

Data: 3 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 3 hits for monomerid = 50389989   

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
Aurora kinase B (Homo sapiens (Human))	BDBM50389989 (CHEMBL2071217) Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(Cc3ccccc3)c2)ncc1Cl |r,c:7| Show InChI InChI=1S/C22H22ClN7O/c23-17-10-25-22(27-16-9-26-30(12-16)11-13-4-2-1-3-5-13)29-21(17)28-19-15-7-6-14(8-15)18(19)20(24)31/h1-7,9-10,12,14-15,18-19H,8,11H2,(H2,24,31)(H2,25,27,28,29)/t14-,15+,18+,19-/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50389989 (CHEMBL2071217) Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(Cc3ccccc3)c2)ncc1Cl |r,c:7| Show InChI InChI=1S/C22H22ClN7O/c23-17-10-25-22(27-16-9-26-30(12-16)11-13-4-2-1-3-5-13)29-21(17)28-19-15-7-6-14(8-15)18(19)20(24)31/h1-7,9-10,12,14-15,18-19H,8,11H2,(H2,24,31)(H2,25,27,28,29)/t14-,15+,18+,19-/m1/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	7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50389989 (CHEMBL2071217) Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(Cc3ccccc3)c2)ncc1Cl |r,c:7| Show InChI InChI=1S/C22H22ClN7O/c23-17-10-25-22(27-16-9-26-30(12-16)11-13-4-2-1-3-5-13)29-21(17)28-19-15-7-6-14(8-15)18(19)20(24)31/h1-7,9-10,12,14-15,18-19H,8,11H2,(H2,24,31)(H2,25,27,28,29)/t14-,15+,18+,19-/m1/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	42	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair