null

SMILES: C[C@@H]1CC[C@H](Nc2ncc(C(N)=O)c3sc(cc23)-c2ccccc2)[C@H](C)N1

InChI Key: InChIKey=RBQJVPQXONDMAS-IGCXYCKISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50254805   

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))	BDBM50254805 (CHEMBL4093952) Show SMILES C[C@@H]1CC[C@H](Nc2ncc(C(N)=O)c3sc(cc23)-c2ccccc2)[C@H](C)N1 |r| Show InChI InChI=1S/C21H24N4OS/c1-12-8-9-17(13(2)24-12)25-21-15-10-18(14-6-4-3-5-7-14)27-19(15)16(11-23-21)20(22)26/h3-7,10-13,17,24H,8-9H2,1-2H3,(H2,22,26)(H,23,25)/t12-,13+,17+/m1/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	12	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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50254805 (CHEMBL4093952) Show SMILES C[C@@H]1CC[C@H](Nc2ncc(C(N)=O)c3sc(cc23)-c2ccccc2)[C@H](C)N1 |r| Show InChI InChI=1S/C21H24N4OS/c1-12-8-9-17(13(2)24-12)25-21-15-10-18(14-6-4-3-5-7-14)27-19(15)16(11-23-21)20(22)26/h3-7,10-13,17,24H,8-9H2,1-2H3,(H2,22,26)(H,23,25)/t12-,13+,17+/m1/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	10	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50254805 (CHEMBL4093952) Show SMILES C[C@@H]1CC[C@H](Nc2ncc(C(N)=O)c3sc(cc23)-c2ccccc2)[C@H](C)N1 |r| Show InChI InChI=1S/C21H24N4OS/c1-12-8-9-17(13(2)24-12)25-21-15-10-18(14-6-4-3-5-7-14)27-19(15)16(11-23-21)20(22)26/h3-7,10-13,17,24H,8-9H2,1-2H3,(H2,22,26)(H,23,25)/t12-,13+,17+/m1/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	8.40E+3	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