BDBM50082193 3-[3-(4-Acetyl-piperazin-1-yl)-3-oxo-2-(2,4,6-triisopropyl-benzenesulfonylamino)-propyl]-benzamidine::CHEMBL322830

SMILES: CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(C)=O

InChI Key: InChIKey=XQKLEMKEDSNHMG-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 = 50082193   

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
Trypsin II (Bos taurus)	BDBM50082193 (3-[3-(4-Acetyl-piperazin-1-yl)-3-oxo-2-(2,4,6-trii...) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C31H45N5O4S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)41(39,40)34-28(16-23-9-8-10-24(15-23)30(32)33)31(38)36-13-11-35(12-14-36)22(7)37/h8-10,15,17-21,28,34H,11-14,16H2,1-7H3,(H3,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Jena Curated by ChEMBL					Assay Description Tested for inhibition of trypsin				Bioorg Med Chem Lett 9: 3147-52 (1999) BindingDB Entry DOI: 10.7270/Q2RB73S3
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50082193 (3-[3-(4-Acetyl-piperazin-1-yl)-3-oxo-2-(2,4,6-trii...) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C31H45N5O4S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)41(39,40)34-28(16-23-9-8-10-24(15-23)30(32)33)31(38)36-13-11-35(12-14-36)22(7)37/h8-10,15,17-21,28,34H,11-14,16H2,1-7H3,(H3,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Jena Curated by ChEMBL					Assay Description Tested for inhibition of plasmin				Bioorg Med Chem Lett 9: 3147-52 (1999) BindingDB Entry DOI: 10.7270/Q2RB73S3
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50082193 (3-[3-(4-Acetyl-piperazin-1-yl)-3-oxo-2-(2,4,6-trii...) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C31H45N5O4S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)41(39,40)34-28(16-23-9-8-10-24(15-23)30(32)33)31(38)36-13-11-35(12-14-36)22(7)37/h8-10,15,17-21,28,34H,11-14,16H2,1-7H3,(H3,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Jena Curated by ChEMBL					Assay Description Tested for inhibition of plasminogen activator urokinase (microPa)				Bioorg Med Chem Lett 9: 3147-52 (1999) BindingDB Entry DOI: 10.7270/Q2RB73S3
					More data for this Ligand-Target Pair