BDBM50149035 CHEMBL122162::Oxyguanidine derivative

SMILES: Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC1CC1)Cc1cccnc1

InChI Key: InChIKey=QBJMPGMQHSMMOI-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50149035   

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))	BDBM50149035 (CHEMBL122162 | Oxyguanidine derivative) Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC1CC1)Cc1cccnc1 Show InChI InChI=1S/C22H29N5O3/c1-16-10-19(12-20(11-16)29-8-3-9-30-26-22(23)24)21(28)27(14-17-5-6-17)15-18-4-2-7-25-13-18/h2,4,7,10-13,17H,3,5-6,8-9,14-15H2,1H3,(H4,23,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair