BDBM50063599 CHEMBL3398627

SMILES: Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1F

InChI Key: InChIKey=LJJCUJBZRWNBNP-RUAJRXAUSA-N

Data: 2 KI

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 = 50063599   

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
Coagulation factor XI (Homo sapiens (Human))	BDBM50063599 (CHEMBL3398627) Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1F |r| Show InChI InChI=1S/C25H17Cl2FN6O/c26-15-7-9-18(28)17(12-15)25(35)30-20(10-13-4-2-1-3-5-13)24-31-21(22(27)32-24)14-6-8-16-19(11-14)33-34-23(16)29/h1-9,11-12,20H,10,29H2,(H,30,35)/b21-14-/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human coagulation factor 11a at 25 degC				Bioorg Med Chem Lett 25: 1635-42 (2015) Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50063599 (CHEMBL3398627) Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1F |r| Show InChI InChI=1S/C25H17Cl2FN6O/c26-15-7-9-18(28)17(12-15)25(35)30-20(10-13-4-2-1-3-5-13)24-31-21(22(27)32-24)14-6-8-16-19(11-14)33-34-23(16)29/h1-9,11-12,20H,10,29H2,(H,30,35)/b21-14-/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human trypsin at 25 degC				Bioorg Med Chem Lett 25: 1635-42 (2015) Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN
					More data for this Ligand-Target Pair