BDBM50071568 2-Amino-2-benzyl-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-5-carboxylic acid [5-amino-1-(4-carbamoyl-benzylaminooxalyl)-pentyl]-amide::CHEMBL75569

SMILES: CC1=CC(N2N(C1)C(=O)C(N)(Cc1ccccc1)C2=O)C(=O)NC(CCCCN)C(=O)C(=O)NCc1ccc(cc1)C(N)=O

InChI Key: InChIKey=SHMGKPFIDDFOGN-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 = 50071568   

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))	BDBM50071568 (2-Amino-2-benzyl-7-methyl-1,3-dioxo-2,3,5,8-tetrah...) Show SMILES CC1=CC(N2N(C1)C(=O)C(N)(Cc1ccccc1)C2=O)C(=O)NC(CCCCN)C(=O)C(=O)NCc1ccc(cc1)C(N)=O |t:1| Show InChI InChI=1S/C31H37N7O6/c1-19-15-24(38-30(44)31(34,29(43)37(38)18-19)16-20-7-3-2-4-8-20)27(41)36-23(9-5-6-14-32)25(39)28(42)35-17-21-10-12-22(13-11-21)26(33)40/h2-4,7-8,10-13,15,23-24H,5-6,9,14,16-18,32,34H2,1H3,(H2,33,40)(H,35,42)(H,36,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecumetics Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity to the thrombin				Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV
					More data for this Ligand-Target Pair