BDBM50085519 CHEMBL102502::Cyclic urea 2,4-diazepin-3-one analogue

SMILES: NC(=[NH2+])c1cccc(c1)N1CCCCN(C2CCN(CC2)S(=O)(=O)c2ccccc2)C1=O

InChI Key: InChIKey=GHOGBMBGVPIAIJ-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 = 50085519   

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))	BDBM50085519 (CHEMBL102502 | Cyclic urea 2,4-diazepin-3-one anal...) Show SMILES NC(=[NH2+])c1cccc(c1)N1CCCCN(C2CCN(CC2)S(=O)(=O)c2ccccc2)C1=O Show InChI InChI=1S/C23H29N5O3S/c24-22(25)18-7-6-8-20(17-18)28-14-5-4-13-27(23(28)29)19-11-15-26(16-12-19)32(30,31)21-9-2-1-3-10-21/h1-3,6-10,17,19H,4-5,11-16H2,(H3,24,25)/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	24	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))	BDBM50085519 (CHEMBL102502 | Cyclic urea 2,4-diazepin-3-one anal...) Show SMILES NC(=[NH2+])c1cccc(c1)N1CCCCN(C2CCN(CC2)S(=O)(=O)c2ccccc2)C1=O Show InChI InChI=1S/C23H29N5O3S/c24-22(25)18-7-6-8-20(17-18)28-14-5-4-13-27(23(28)29)19-11-15-26(16-12-19)32(30,31)21-9-2-1-3-10-21/h1-3,6-10,17,19H,4-5,11-16H2,(H3,24,25)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	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))	BDBM50085519 (CHEMBL102502 | Cyclic urea 2,4-diazepin-3-one anal...) Show SMILES NC(=[NH2+])c1cccc(c1)N1CCCCN(C2CCN(CC2)S(=O)(=O)c2ccccc2)C1=O Show InChI InChI=1S/C23H29N5O3S/c24-22(25)18-7-6-8-20(17-18)28-14-5-4-13-27(23(28)29)19-11-15-26(16-12-19)32(30,31)21-9-2-1-3-10-21/h1-3,6-10,17,19H,4-5,11-16H2,(H3,24,25)/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+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