BDBM50085509 CHEMBL104995::Cyclic urea 2,4-diazepin-3-one analogue

SMILES: NC(=[NH2+])c1cccc(c1)N1CCCCN(C2CCN(CC2)S(=O)(=O)c2cccs2)C1=O

InChI Key: InChIKey=WDNGKOMGWMGLJU-UHFFFAOYSA-O

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 = 50085509   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50085509 (CHEMBL104995 | Cyclic urea 2,4-diazepin-3-one anal...) Show SMILES NC(=[NH2+])c1cccc(c1)N1CCCCN(C2CCN(CC2)S(=O)(=O)c2cccs2)C1=O Show InChI InChI=1S/C21H27N5O3S2/c22-20(23)16-5-3-6-18(15-16)26-11-2-1-10-25(21(26)27)17-8-12-24(13-9-17)31(28,29)19-7-4-14-30-19/h3-7,14-15,17H,1-2,8-13H2,(H3,22,23)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of coagulation factor Xa				Bioorg Med Chem Lett 10: 301-4 (2000) BindingDB Entry DOI: 10.7270/Q2639Q7R
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50085509 (CHEMBL104995 | Cyclic urea 2,4-diazepin-3-one anal...) Show SMILES NC(=[NH2+])c1cccc(c1)N1CCCCN(C2CCN(CC2)S(=O)(=O)c2cccs2)C1=O Show InChI InChI=1S/C21H27N5O3S2/c22-20(23)16-5-3-6-18(15-16)26-11-2-1-10-25(21(26)27)17-8-12-24(13-9-17)31(28,29)19-7-4-14-30-19/h3-7,14-15,17H,1-2,8-13H2,(H3,22,23)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				Bioorg Med Chem Lett 10: 301-4 (2000) BindingDB Entry DOI: 10.7270/Q2639Q7R
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50085509 (CHEMBL104995 | Cyclic urea 2,4-diazepin-3-one anal...) Show SMILES NC(=[NH2+])c1cccc(c1)N1CCCCN(C2CCN(CC2)S(=O)(=O)c2cccs2)C1=O Show InChI InChI=1S/C21H27N5O3S2/c22-20(23)16-5-3-6-18(15-16)26-11-2-1-10-25(21(26)27)17-8-12-24(13-9-17)31(28,29)19-7-4-14-30-19/h3-7,14-15,17H,1-2,8-13H2,(H3,22,23)/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 10: 301-4 (2000) BindingDB Entry DOI: 10.7270/Q2639Q7R
					More data for this Ligand-Target Pair