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SMILES: Fc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1

InChI Key: InChIKey=OKBSVWMOYSAQKV-KRWDZBQOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 329010   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM329010 (1137478-44-4 | US9663503, Compound Y-151) Show SMILES Fc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C21H20FN7O/c22-15-3-1-14(2-4-15)18-12-28-20(29-21-13-25-16(8-23)9-27-21)7-19(18)26-11-17-10-24-5-6-30-17/h1-4,7,9,12-13,17,24H,5-6,10-11H2,(H2,26,27,28,29)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description CHK1 kinase activity was measured in a microfluidic assay that monitors the separation of a phosphorylated product from its substrate. The assay was ...				US Patent US9663503 (2017) BindingDB Entry DOI: 10.7270/Q2T43W7G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM329010 (1137478-44-4 | US9663503, Compound Y-151) Show SMILES Fc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C21H20FN7O/c22-15-3-1-14(2-4-15)18-12-28-20(29-21-13-25-16(8-23)9-27-21)7-19(18)26-11-17-10-24-5-6-30-17/h1-4,7,9,12-13,17,24H,5-6,10-11H2,(H2,26,27,28,29)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM329010 (1137478-44-4 | US9663503, Compound Y-151) Show SMILES Fc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C21H20FN7O/c22-15-3-1-14(2-4-15)18-12-28-20(29-21-13-25-16(8-23)9-27-21)7-19(18)26-11-17-10-24-5-6-30-17/h1-4,7,9,12-13,17,24H,5-6,10-11H2,(H2,26,27,28,29)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair