BDBM50296418 2-(6,9-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-(4-fluorophenyl)ethanone::CHEMBL559480

SMILES: Cc1ccc(C)c2c3nnc(SCC(=O)c4ccc(F)cc4)nc3[nH]c12

InChI Key: InChIKey=DQYPWHLGJDKSCZ-UHFFFAOYSA-N

Data: 3 KI

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 = 50296418   

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
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...)	BDBM50296418 (2-(6,9-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-y...) Show SMILES Cc1ccc(C)c2c3nnc(SCC(=O)c4ccc(F)cc4)nc3[nH]c12 Show InChI InChI=1S/C19H15FN4OS/c1-10-3-4-11(2)16-15(10)17-18(21-16)22-19(24-23-17)26-9-14(25)12-5-7-13(20)8-6-12/h3-8H,9H2,1-2H3,(H,21,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI) (Homo sapiens (Human))	BDBM50296418 (2-(6,9-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-y...) Show SMILES Cc1ccc(C)c2c3nnc(SCC(=O)c4ccc(F)cc4)nc3[nH]c12 Show InChI InChI=1S/C19H15FN4OS/c1-10-3-4-11(2)16-15(10)17-18(21-16)22-19(24-23-17)26-9-14(25)12-5-7-13(20)8-6-12/h3-8H,9H2,1-2H3,(H,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Bos taurus (bovine))	BDBM50296418 (2-(6,9-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-y...) Show SMILES Cc1ccc(C)c2c3nnc(SCC(=O)c4ccc(F)cc4)nc3[nH]c12 Show InChI InChI=1S/C19H15FN4OS/c1-10-3-4-11(2)16-15(10)17-18(21-16)22-19(24-23-17)26-9-14(25)12-5-7-13(20)8-6-12/h3-8H,9H2,1-2H3,(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of bovine carboxypeptidase A1				Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4
					More data for this Ligand-Target Pair