BDBM50003300 CHEMBL444779

SMILES: CN1C(N)Nc2c(C1=O)n(C)c[n+]2C.[H][C@]12CCCC(C)(C)[C@]1([H])CC[C@]1(C)[C@@H](CCc3ccoc3)\C(CC[C@]21[H])=C\OS([O-])(=O)=O

InChI Key: InChIKey=CCJQJUFUMVSQKB-NNDQGBFTSA-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 = 50003300   

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))	BDBM50003300 (CHEMBL444779) Show SMILES CN1C(N)Nc2c(C1=O)n(C)c[n+]2C.[H][C@]12CCCC(C)(C)[C@]1([H])CC[C@]1(C)[C@@H](CCc3ccoc3)\C(CC[C@]21[H])=C\OS([O-])(=O)=O |r| Show InChI InChI=1S/C24H36O5S.C8H13N5O/c1-23(2)12-4-5-19-21(23)10-13-24(3)20(8-6-17-11-14-28-15-17)18(7-9-22(19)24)16-29-30(25,26)27;1-11-4-12(2)6-5(11)7(14)13(3)8(9)10-6/h11,14-16,19-22H,4-10,12-13H2,1-3H3,(H,25,26,27);4,8H,9H2,1-3H3/b18-16+;/t19-,20-,21+,22+,24+;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Aoyama Gakuin University Curated by ChEMBL					Assay Description Inhibition of thrombin				J Nat Prod 61: 248-50 (1998) Article DOI: 10.1021/np970376z BindingDB Entry DOI: 10.7270/Q2P55Q04
					More data for this Ligand-Target Pair