BDBM50287475 1-((S)-3-{[(S)-1-((R)-2-Acetylamino-3-cyclohexyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-6-guanidino-2-oxo-hexyl)-pyridinium::CHEMBL294946

SMILES: CC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C[n+]1ccccc1

InChI Key: InChIKey=WQGWVEZZZYOFGD-VXNXHJTFSA-O

Data: 1 KI  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 2 hits for monomerid = 50287475   

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))	BDBM50287475 (1-((S)-3-{[(S)-1-((R)-2-Acetylamino-3-cyclohexyl-p...) Show SMILES CC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C[n+]1ccccc1 Show InChI InChI=1S/C28H43N7O4/c1-20(36)32-23(18-21-10-4-2-5-11-21)27(39)35-17-9-13-24(35)26(38)33-22(12-8-14-31-28(29)30)25(37)19-34-15-6-3-7-16-34/h3,6-7,15-16,21-24H,2,4-5,8-14,17-19H2,1H3,(H5-,29,30,31,32,33,36,38)/p+1/t22-,23+,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured for the inhibition of alpha-human thrombin by clotting test				Bioorg Med Chem Lett 6: 1677-1682 (1996) Article DOI: 10.1016/0960-894X(96)00291-0 BindingDB Entry DOI: 10.7270/Q2CF9Q2H
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50287475 (1-((S)-3-{[(S)-1-((R)-2-Acetylamino-3-cyclohexyl-p...) Show SMILES CC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C[n+]1ccccc1 Show InChI InChI=1S/C28H43N7O4/c1-20(36)32-23(18-21-10-4-2-5-11-21)27(39)35-17-9-13-24(35)26(38)33-22(12-8-14-31-28(29)30)25(37)19-34-15-6-3-7-16-34/h3,6-7,15-16,21-24H,2,4-5,8-14,17-19H2,1H3,(H5-,29,30,31,32,33,36,38)/p+1/t22-,23+,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured for the inhibition of alpha-human thrombin by amidolytic assay				Bioorg Med Chem Lett 6: 1677-1682 (1996) Article DOI: 10.1016/0960-894X(96)00291-0 BindingDB Entry DOI: 10.7270/Q2CF9Q2H
					More data for this Ligand-Target Pair