BDBM50079891 CHEMBL3415214

SMILES: Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1F

InChI Key: InChIKey=MGYJAWXXBHSYJR-UHFFFAOYSA-N

Data: 2 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 = 50079891   

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))	BDBM50079891 (CHEMBL3415214) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1F Show InChI InChI=1S/C26H25FN6O3/c1-32-22-11-8-17(26(36)33(13-12-24(34)35)21-5-3-2-4-19(21)27)14-20(22)31-23(32)15-30-18-9-6-16(7-10-18)25(28)29/h2-11,14,30H,12-13,15H2,1H3,(H3,28,29)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079891 (CHEMBL3415214) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1F Show InChI InChI=1S/C26H25FN6O3/c1-32-22-11-8-17(26(36)33(13-12-24(34)35)21-5-3-2-4-19(21)27)14-20(22)31-23(32)15-30-18-9-6-16(7-10-18)25(28)29/h2-11,14,30H,12-13,15H2,1H3,(H3,28,29)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assa...				Eur J Med Chem 96: 122-38 (2015) Article DOI: 10.1016/j.ejmech.2015.04.012 BindingDB Entry DOI: 10.7270/Q2Q81FRH
					More data for this Ligand-Target Pair