BDBM50330775 5-{3-[3-(Guanidino)propylcarbamoyl]benzylaminocarboyl}-9-hydroxy-1,3-dihydropyrrolo[3,4-c]carbazole-1,3-(2H,6H)-dione hydrochloride::CHEMBL1277132

SMILES: NC(N)=NCCCNC(=O)c1cccc(CNC(=O)c2cc3C(=O)NC(=O)c3c3c4cc(O)ccc4[nH]c23)c1

InChI Key: InChIKey=XICGYQPBGCAONT-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50330775   

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))	BDBM50330775 (5-{3-[3-(Guanidino)propylcarbamoyl]benzylaminocarb...) Show SMILES NC(N)=NCCCNC(=O)c1cccc(CNC(=O)c2cc3C(=O)NC(=O)c3c3c4cc(O)ccc4[nH]c23)c1 |(47.46,-28,;45.93,-28,;45.16,-29.33,;45.16,-26.67,;43.63,-26.67,;42.86,-25.35,;41.33,-25.35,;40.56,-24.03,;39.02,-24.03,;38.25,-25.37,;38.26,-22.71,;39.02,-21.38,;38.23,-20.05,;36.7,-20.07,;35.95,-21.42,;34.41,-21.42,;33.65,-20.1,;32.12,-20.1,;31.35,-21.43,;31.35,-18.77,;32.11,-17.43,;31.32,-16.11,;31.79,-14.64,;33.24,-14.16,;30.54,-13.74,;29.3,-14.65,;27.84,-14.19,;29.78,-16.12,;29.03,-17.45,;27.52,-17.78,;26.27,-16.88,;24.87,-17.51,;23.63,-16.61,;24.71,-19.04,;25.95,-19.94,;27.36,-19.32,;28.78,-19.94,;29.8,-18.78,;36.72,-22.73,)| Show InChI InChI=1S/C27H25N7O5/c28-27(29)31-8-2-7-30-23(36)14-4-1-3-13(9-14)12-32-24(37)18-11-17-21(26(39)34-25(17)38)20-16-10-15(35)5-6-19(16)33-22(18)20/h1,3-6,9-11,33,35H,2,7-8,12H2,(H,30,36)(H,32,37)(H4,28,29,31)(H,34,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1				Bioorg Med Chem 18: 7878-89 (2010) Article DOI: 10.1016/j.bmc.2010.09.042 BindingDB Entry DOI: 10.7270/Q2XS5VM7
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