null

SMILES: NC(=O)c1cnc(N[C@H]2CNCC[C@@H]2O)c2cc(sc12)-c1ccccc1

InChI Key: InChIKey=ZZJBCGMTQHRATH-GJZGRUSLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50255210   

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))	BDBM50255210 (CHEMBL4082801) Show SMILES NC(=O)c1cnc(N[C@H]2CNCC[C@@H]2O)c2cc(sc12)-c1ccccc1 |r| Show InChI InChI=1S/C19H20N4O2S/c20-18(25)13-9-22-19(23-14-10-21-7-6-15(14)24)12-8-16(26-17(12)13)11-4-2-1-3-5-11/h1-5,8-9,14-15,21,24H,6-7,10H2,(H2,20,25)(H,22,23)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States. Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				J Med Chem 61: 1061-1073 (2018) Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50255210 (CHEMBL4082801) Show SMILES NC(=O)c1cnc(N[C@H]2CNCC[C@@H]2O)c2cc(sc12)-c1ccccc1 |r| Show InChI InChI=1S/C19H20N4O2S/c20-18(25)13-9-22-19(23-14-10-21-7-6-15(14)24)12-8-16(26-17(12)13)11-4-2-1-3-5-11/h1-5,8-9,14-15,21,24H,6-7,10H2,(H2,20,25)(H,22,23)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by patch clamp assay				J Med Chem 61: 1061-1073 (2018) Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50255210 (CHEMBL4082801) Show SMILES NC(=O)c1cnc(N[C@H]2CNCC[C@@H]2O)c2cc(sc12)-c1ccccc1 |r| Show InChI InChI=1S/C19H20N4O2S/c20-18(25)13-9-22-19(23-14-10-21-7-6-15(14)24)12-8-16(26-17(12)13)11-4-2-1-3-5-11/h1-5,8-9,14-15,21,24H,6-7,10H2,(H2,20,25)(H,22,23)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	410	n/a	n/a	n/a	n/a
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States. Curated by ChEMBL					Assay Description Inhibition of CHK1 in human HT29 cells assessed as abrogation of camptothecin-induced G2/M phase arrest				J Med Chem 61: 1061-1073 (2018) Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5
					More data for this Ligand-Target Pair