BDBM50082181 3-[3-Oxo-3-piperazin-1-yl-2-(2,4,6-triisopropyl-benzenesulfonylamino)-propyl]-benzamidine::CHEMBL106035

SMILES: CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1

InChI Key: InChIKey=KFBQPRUUOPSVGX-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 = 50082181   

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)	BDBM50082181 (3-[3-Oxo-3-piperazin-1-yl-2-(2,4,6-triisopropyl-be...) 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)N1CCNCC1 Show InChI InChI=1S/C29H43N5O3S/c1-18(2)23-16-24(19(3)4)27(25(17-23)20(5)6)38(36,37)33-26(29(35)34-12-10-32-11-13-34)15-21-8-7-9-22(14-21)28(30)31/h7-9,14,16-20,26,32-33H,10-13,15H2,1-6H3,(H3,30,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	980	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))	BDBM50082181 (3-[3-Oxo-3-piperazin-1-yl-2-(2,4,6-triisopropyl-be...) 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)N1CCNCC1 Show InChI InChI=1S/C29H43N5O3S/c1-18(2)23-16-24(19(3)4)27(25(17-23)20(5)6)38(36,37)33-26(29(35)34-12-10-32-11-13-34)15-21-8-7-9-22(14-21)28(30)31/h7-9,14,16-20,26,32-33H,10-13,15H2,1-6H3,(H3,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.10E+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))	BDBM50082181 (3-[3-Oxo-3-piperazin-1-yl-2-(2,4,6-triisopropyl-be...) 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)N1CCNCC1 Show InChI InChI=1S/C29H43N5O3S/c1-18(2)23-16-24(19(3)4)27(25(17-23)20(5)6)38(36,37)33-26(29(35)34-12-10-32-11-13-34)15-21-8-7-9-22(14-21)28(30)31/h7-9,14,16-20,26,32-33H,10-13,15H2,1-6H3,(H3,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+4	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