BDBM50459509 CHEMBL1883669

SMILES: Cc1nn(c(C)c1NC(=O)COC(=O)Cc1ccccc1)-c1ccccc1

InChI Key: InChIKey=TVUOBKZZHRDIPA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50459509   

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
Prothrombin (Homo sapiens (Human))	BDBM50459509 (CHEMBL1883669) Show SMILES Cc1nn(c(C)c1NC(=O)COC(=O)Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O3/c1-15-21(16(2)24(23-15)18-11-7-4-8-12-18)22-19(25)14-27-20(26)13-17-9-5-3-6-10-17/h3-12H,13-14H2,1-2H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center (DKFZ) Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) pre-incubated for 30 mins before N-Boc-FSR-AMC substrate addition and measured after 30 mins				J Med Chem 61: 8859-8874 (2018) Article DOI: 10.1021/acs.jmedchem.8b01106 BindingDB Entry DOI: 10.7270/Q279479B
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50459509 (CHEMBL1883669) Show SMILES Cc1nn(c(C)c1NC(=O)COC(=O)Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O3/c1-15-21(16(2)24(23-15)18-11-7-4-8-12-18)22-19(25)14-27-20(26)13-17-9-5-3-6-10-17/h3-12H,13-14H2,1-2H3,(H,22,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center (DKFZ) Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) pre-incubated for 30 mins before N-Boc-FSR-AMC substrate addition and measured after 30 mins				J Med Chem 61: 8859-8874 (2018) Article DOI: 10.1021/acs.jmedchem.8b01106 BindingDB Entry DOI: 10.7270/Q279479B
					More data for this Ligand-Target Pair
Kallikrein 6 (Homo sapiens (Human))	BDBM50459509 (CHEMBL1883669) Show SMILES Cc1nn(c(C)c1NC(=O)COC(=O)Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O3/c1-15-21(16(2)24(23-15)18-11-7-4-8-12-18)22-19(25)14-27-20(26)13-17-9-5-3-6-10-17/h3-12H,13-14H2,1-2H3,(H,22,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center (DKFZ) Curated by ChEMBL					Assay Description Inhibition of His-6-tagged human KLK6 R74G/R76Q/N132Q mutant expressed in Escherichia coli DH10 pre-incubated for 30 mins before N-Boc-FSR-AMC substr...				J Med Chem 61: 8859-8874 (2018) Article DOI: 10.1021/acs.jmedchem.8b01106 BindingDB Entry DOI: 10.7270/Q279479B
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50459509 (CHEMBL1883669) Show SMILES Cc1nn(c(C)c1NC(=O)COC(=O)Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O3/c1-15-21(16(2)24(23-15)18-11-7-4-8-12-18)22-19(25)14-27-20(26)13-17-9-5-3-6-10-17/h3-12H,13-14H2,1-2H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center (DKFZ) Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin) pre-incubated for 30 mins before N-Boc-FSR-AMC substrate addition and measured after 30 mins				J Med Chem 61: 8859-8874 (2018) Article DOI: 10.1021/acs.jmedchem.8b01106 BindingDB Entry DOI: 10.7270/Q279479B
					More data for this Ligand-Target Pair