BDBM50168129 CHEMBL3799876

SMILES: CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1c(C)cccc1C

InChI Key: InChIKey=JBYKSDBYLCMNSX-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 = 50168129   

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))	BDBM50168129 (CHEMBL3799876) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1c(C)cccc1C Show InChI InChI=1S/C29H31FN6O3/c1-4-35-24-11-9-20(29(39)36(13-12-26(37)38)27-17(2)6-5-7-18(27)3)15-23(24)34-25(35)16-33-22-10-8-19(28(31)32)14-21(22)30/h5-11,14-15,33H,4,12-13,16H2,1-3H3,(H3,31,32)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.80	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 preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50168129 (CHEMBL3799876) Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1c(C)cccc1C Show InChI InChI=1S/C29H31FN6O3/c1-4-35-24-11-9-20(29(39)36(13-12-26(37)38)27-17(2)6-5-7-18(27)3)15-23(24)34-25(35)16-33-22-10-8-19(28(31)32)14-21(22)30/h5-11,14-15,33H,4,12-13,16H2,1-3H3,(H3,31,32)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.80	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 preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay				Bioorg Med Chem 24: 2739-53 (2016) BindingDB Entry DOI: 10.7270/Q2057HVD
					More data for this Ligand-Target Pair