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SMILES: OCCc1ccc(Nc2ncc(C#N)c(n2)-c2cc3ccccc3[nH]2)cc1

InChI Key: InChIKey=UPTXKZNTICNNEO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50212042   

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
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50212042 (2-(4-(2-hydroxyethyl)phenylamino)-4-(1H-indol-2-yl...) Show SMILES OCCc1ccc(Nc2ncc(C#N)c(n2)-c2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C21H17N5O/c22-12-16-13-23-21(24-17-7-5-14(6-8-17)9-10-27)26-20(16)19-11-15-3-1-2-4-18(15)25-19/h1-8,11,13,25,27H,9-10H2,(H,23,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CDK1 activity				Bioorg Med Chem Lett 17: 3266-70 (2007) Article DOI: 10.1016/j.bmcl.2007.04.021 BindingDB Entry DOI: 10.7270/Q2GQ6XFG
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50212042 (2-(4-(2-hydroxyethyl)phenylamino)-4-(1H-indol-2-yl...) Show SMILES OCCc1ccc(Nc2ncc(C#N)c(n2)-c2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C21H17N5O/c22-12-16-13-23-21(24-17-7-5-14(6-8-17)9-10-27)26-20(16)19-11-15-3-1-2-4-18(15)25-19/h1-8,11,13,25,27H,9-10H2,(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of VEGFR2 activity				Bioorg Med Chem Lett 17: 3266-70 (2007) Article DOI: 10.1016/j.bmcl.2007.04.021 BindingDB Entry DOI: 10.7270/Q2GQ6XFG
					More data for this Ligand-Target Pair