BDBM50082188 3-[3-Azepan-1-yl-3-oxo-2-(2,4,6-triisopropyl-benzenesulfonylamino)-propyl]-benzamidine::CHEMBL107203

SMILES: CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCCC1

InChI Key: InChIKey=QGYPULFQPNULSG-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 = 50082188   

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)	BDBM50082188 (3-[3-Azepan-1-yl-3-oxo-2-(2,4,6-triisopropyl-benze...) 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)N1CCCCCC1 Show InChI InChI=1S/C31H46N4O3S/c1-20(2)25-18-26(21(3)4)29(27(19-25)22(5)6)39(37,38)34-28(31(36)35-14-9-7-8-10-15-35)17-23-12-11-13-24(16-23)30(32)33/h11-13,16,18-22,28,34H,7-10,14-15,17H2,1-6H3,(H3,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	950	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))	BDBM50082188 (3-[3-Azepan-1-yl-3-oxo-2-(2,4,6-triisopropyl-benze...) 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)N1CCCCCC1 Show InChI InChI=1S/C31H46N4O3S/c1-20(2)25-18-26(21(3)4)29(27(19-25)22(5)6)39(37,38)34-28(31(36)35-14-9-7-8-10-15-35)17-23-12-11-13-24(16-23)30(32)33/h11-13,16,18-22,28,34H,7-10,14-15,17H2,1-6H3,(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	2.80E+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))	BDBM50082188 (3-[3-Azepan-1-yl-3-oxo-2-(2,4,6-triisopropyl-benze...) 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)N1CCCCCC1 Show InChI InChI=1S/C31H46N4O3S/c1-20(2)25-18-26(21(3)4)29(27(19-25)22(5)6)39(37,38)34-28(31(36)35-14-9-7-8-10-15-35)17-23-12-11-13-24(16-23)30(32)33/h11-13,16,18-22,28,34H,7-10,14-15,17H2,1-6H3,(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	4.40E+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