BDBM50110384 4-{3-[(S)-3-(3,4-Dimethoxy-benzenesulfonylamino)-2-oxo-azepan-1-yl]-2-oxo-propyl}-piperidine-1-carboxamidine::CHEMBL163035

SMILES: COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CCCCN(CC(=O)CC2CCN(CC2)C(N)=N)C1=O

InChI Key: InChIKey=OHXVOVZILGPZNN-IBGZPJMESA-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 = 50110384   

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
Prothrombin (Homo sapiens (Human))	BDBM50110384 (4-{3-[(S)-3-(3,4-Dimethoxy-benzenesulfonylamino)-2...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CCCCN(CC(=O)CC2CCN(CC2)C(N)=N)C1=O Show InChI InChI=1S/C23H35N5O6S/c1-33-20-7-6-18(14-21(20)34-2)35(31,32)26-19-5-3-4-10-28(22(19)30)15-17(29)13-16-8-11-27(12-9-16)23(24)25/h6-7,14,16,19,26H,3-5,8-13,15H2,1-2H3,(H3,24,25)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against human thrombin (FIIa) determined in vitro				Bioorg Med Chem Lett 12: 743-8 (2002) BindingDB Entry DOI: 10.7270/Q25B0319
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50110384 (4-{3-[(S)-3-(3,4-Dimethoxy-benzenesulfonylamino)-2...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CCCCN(CC(=O)CC2CCN(CC2)C(N)=N)C1=O Show InChI InChI=1S/C23H35N5O6S/c1-33-20-7-6-18(14-21(20)34-2)35(31,32)26-19-5-3-4-10-28(22(19)30)15-17(29)13-16-8-11-27(12-9-16)23(24)25/h6-7,14,16,19,26H,3-5,8-13,15H2,1-2H3,(H3,24,25)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>338	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against human Coagulation factor Xa determined in Vitro				Bioorg Med Chem Lett 12: 743-8 (2002) BindingDB Entry DOI: 10.7270/Q25B0319
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50110384 (4-{3-[(S)-3-(3,4-Dimethoxy-benzenesulfonylamino)-2...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CCCCN(CC(=O)CC2CCN(CC2)C(N)=N)C1=O Show InChI InChI=1S/C23H35N5O6S/c1-33-20-7-6-18(14-21(20)34-2)35(31,32)26-19-5-3-4-10-28(22(19)30)15-17(29)13-16-8-11-27(12-9-16)23(24)25/h6-7,14,16,19,26H,3-5,8-13,15H2,1-2H3,(H3,24,25)/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against trypsin determined in Vitro				Bioorg Med Chem Lett 12: 743-8 (2002) BindingDB Entry DOI: 10.7270/Q25B0319
					More data for this Ligand-Target Pair