BDBM50123429 ((3'-Carbamimidoyl-biphenyl-3-ylmethyl)-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]-phenyl}-sulfamoyl)-acetic acid::CHEMBL152631

SMILES: CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cccc(c1)-c1cccc(c1)C(N)=N)S(=O)(=O)CC(O)=O

InChI Key: InChIKey=GTNDJRULFMZIBE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50123429   

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 (Rattus norvegicus)	BDBM50123429 (((3'-Carbamimidoyl-biphenyl-3-ylmethyl)-{4-[1-(1-i...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cccc(c1)-c1cccc(c1)C(N)=N)S(=O)(=O)CC(O)=O Show InChI InChI=1S/C29H33N5O5S/c1-20(30)33-14-12-27(13-15-33)39-26-10-8-25(9-11-26)34(40(37,38)19-28(35)36)18-21-4-2-5-22(16-21)23-6-3-7-24(17-23)29(31)32/h2-11,16-17,27,30H,12-15,18-19H2,1H3,(H3,31,32)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against trypsin				Bioorg Med Chem Lett 13: 561-6 (2003) BindingDB Entry DOI: 10.7270/Q2DB816X
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50123429 (((3'-Carbamimidoyl-biphenyl-3-ylmethyl)-{4-[1-(1-i...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cccc(c1)-c1cccc(c1)C(N)=N)S(=O)(=O)CC(O)=O Show InChI InChI=1S/C29H33N5O5S/c1-20(30)33-14-12-27(13-15-33)39-26-10-8-25(9-11-26)34(40(37,38)19-28(35)36)18-21-4-2-5-22(16-21)23-6-3-7-24(17-23)29(31)32/h2-11,16-17,27,30H,12-15,18-19H2,1H3,(H3,31,32)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound to factor Xa				Bioorg Med Chem Lett 13: 561-6 (2003) BindingDB Entry DOI: 10.7270/Q2DB816X
					More data for this Ligand-Target Pair