BDBM50072859 3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trimethyl-benzenesulfonylamino)-propyl]-benzamidine::CHEMBL358441

SMILES: CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(C)cc(C)cc1C

InChI Key: InChIKey=IAGDKMMVEZAZLT-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50072859   

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
Thrombin (Bos taurus (Bovine))	BDBM50072859 (3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trim...) Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C25H34N4O3S/c1-16-8-10-29(11-9-16)25(30)22(15-20-6-5-7-21(14-20)24(26)27)28-33(31,32)23-18(3)12-17(2)13-19(23)4/h5-7,12-14,16,22,28H,8-11,15H2,1-4H3,(H3,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50072859 (3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trim...) Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C25H34N4O3S/c1-16-8-10-29(11-9-16)25(30)22(15-20-6-5-7-21(14-20)24(26)27)28-33(31,32)23-18(3)12-17(2)13-19(23)4/h5-7,12-14,16,22,28H,8-11,15H2,1-4H3,(H3,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50072859 (3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trim...) Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C25H34N4O3S/c1-16-8-10-29(11-9-16)25(30)22(15-20-6-5-7-21(14-20)24(26)27)28-33(31,32)23-18(3)12-17(2)13-19(23)4/h5-7,12-14,16,22,28H,8-11,15H2,1-4H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50072859 (3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trim...) Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C25H34N4O3S/c1-16-8-10-29(11-9-16)25(30)22(15-20-6-5-7-21(14-20)24(26)27)28-33(31,32)23-18(3)12-17(2)13-19(23)4/h5-7,12-14,16,22,28H,8-11,15H2,1-4H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine coagulation factor X expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair