BDBM50450514 CHEMBL2304270

SMILES: Cl.[H][C@]12CC[C@H](N1C(=O)[C@](Cc1ccccc1)(CC2)NC(C)=O)C(=O)N[C@H]1CCCN(C1O)C(N)=N

InChI Key: InChIKey=SURPCVNEFCQNEX-QWRRCAMZSA-N

Data: 1 IC50

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 = 50450514   

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))	BDBM50450514 (CHEMBL2304270) Show SMILES Cl.[H][C@]12CC[C@H](N1C(=O)[C@](Cc1ccccc1)(CC2)NC(C)=O)C(=O)N[C@H]1CCCN(C1O)C(N)=N |r| Show InChI InChI=1S/C24H34N6O4.ClH/c1-15(31)28-24(14-16-6-3-2-4-7-16)12-11-17-9-10-19(30(17)22(24)34)20(32)27-18-8-5-13-29(21(18)33)23(25)26;/h2-4,6-7,17-19,21,33H,5,8-14H2,1H3,(H3,25,26)(H,27,32)(H,28,31);1H/t17-,18+,19+,21?,24-;/m1./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro ability to inhibit the activity of human alpha Thrombin				Bioorg Med Chem Lett 7: 2205-2210 (1997) Article DOI: 10.1016/S0960-894X(97)00403-4 BindingDB Entry DOI: 10.7270/Q21G0MR2
					More data for this Ligand-Target Pair