BDBM50444601 CHEMBL3099881

SMILES: Nc1ccc2nc(SCc3nc4ccccc4c(=O)n3-c3cccc(c3)C(F)(F)F)[nH]c2c1

InChI Key: InChIKey=AYAUKEHRHLIRRY-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50444601   

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
Kallikrein 7 (Homo sapiens (Human))	BDBM50444601 (CHEMBL3099881) Show SMILES Nc1ccc2nc(SCc3nc4ccccc4c(=O)n3-c3cccc(c3)C(F)(F)F)[nH]c2c1 Show InChI InChI=1S/C23H16F3N5OS/c24-23(25,26)13-4-3-5-15(10-13)31-20(28-17-7-2-1-6-16(17)21(31)32)12-33-22-29-18-9-8-14(27)11-19(18)30-22/h1-11H,12,27H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie Curated by ChEMBL					Assay Description Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lin...				Eur J Med Chem 70: 661-8 (2013) Article DOI: 10.1016/j.ejmech.2013.10.040 BindingDB Entry DOI: 10.7270/Q21837Z8
					More data for this Ligand-Target Pair
Kallikrein 7 (Homo sapiens (Human))	BDBM50444601 (CHEMBL3099881) Show SMILES Nc1ccc2nc(SCc3nc4ccccc4c(=O)n3-c3cccc(c3)C(F)(F)F)[nH]c2c1 Show InChI InChI=1S/C23H16F3N5OS/c24-23(25,26)13-4-3-5-15(10-13)31-20(28-17-7-2-1-6-16(17)21(31)32)12-33-22-29-18-9-8-14(27)11-19(18)30-22/h1-11H,12,27H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie Curated by ChEMBL					Assay Description Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 15 to 60 m...				Eur J Med Chem 70: 661-8 (2013) Article DOI: 10.1016/j.ejmech.2013.10.040 BindingDB Entry DOI: 10.7270/Q21837Z8
					More data for this Ligand-Target Pair
Kallikrein 7 (Homo sapiens (Human))	BDBM50444601 (CHEMBL3099881) Show SMILES Nc1ccc2nc(SCc3nc4ccccc4c(=O)n3-c3cccc(c3)C(F)(F)F)[nH]c2c1 Show InChI InChI=1S/C23H16F3N5OS/c24-23(25,26)13-4-3-5-15(10-13)31-20(28-17-7-2-1-6-16(17)21(31)32)12-33-22-29-18-9-8-14(27)11-19(18)30-22/h1-11H,12,27H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie Curated by ChEMBL					Assay Description Inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 15 mins by fluorescence assay				Eur J Med Chem 70: 661-8 (2013) Article DOI: 10.1016/j.ejmech.2013.10.040 BindingDB Entry DOI: 10.7270/Q21837Z8
					More data for this Ligand-Target Pair