null

SMILES: C[C@H]1NCCC[C@@H]1Nc1ncc(C(N)=O)c2sc(cc12)-c1ccccc1

InChI Key: InChIKey=LMQOZGSVTQQPFU-WBMJQRKESA-N

PDB links: 1 PDB ID matches this monomer.

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 = 50254814   

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))	BDBM50254814 (CHEMBL4059912) Show SMILES C[C@H]1NCCC[C@@H]1Nc1ncc(C(N)=O)c2sc(cc12)-c1ccccc1 |r| Show InChI InChI=1S/C20H22N4OS/c1-12-16(8-5-9-22-12)24-20-14-10-17(13-6-3-2-4-7-13)26-18(14)15(11-23-20)19(21)25/h2-4,6-7,10-12,16,22H,5,8-9H2,1H3,(H2,21,25)(H,23,24)/t12-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	8	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				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50254814 (CHEMBL4059912) Show SMILES C[C@H]1NCCC[C@@H]1Nc1ncc(C(N)=O)c2sc(cc12)-c1ccccc1 |r| Show InChI InChI=1S/C20H22N4OS/c1-12-16(8-5-9-22-12)24-20-14-10-17(13-6-3-2-4-7-13)26-18(14)15(11-23-20)19(21)25/h2-4,6-7,10-12,16,22H,5,8-9H2,1H3,(H2,21,25)(H,23,24)/t12-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	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				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50254814 (CHEMBL4059912) Show SMILES C[C@H]1NCCC[C@@H]1Nc1ncc(C(N)=O)c2sc(cc12)-c1ccccc1 |r| Show InChI InChI=1S/C20H22N4OS/c1-12-16(8-5-9-22-12)24-20-14-10-17(13-6-3-2-4-7-13)26-18(14)15(11-23-20)19(21)25/h2-4,6-7,10-12,16,22H,5,8-9H2,1H3,(H2,21,25)(H,23,24)/t12-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB 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