BDBM50448607 CHEMBL3127467

SMILES: NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1ccccc1-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=LAGZWXQAPTXYPK-SQHAQQRYSA-N

Data: 1 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 1 hit for monomerid = 50448607   

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))	BDBM50448607 (CHEMBL3127467) Show SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1ccccc1-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C29H25N3O2/c30-28(31)21-14-15-26-25(16-21)24(18-6-2-1-3-7-18)17-27(32-26)23-9-5-4-8-22(23)19-10-12-20(13-11-19)29(33)34/h1-16,24,27,32H,17H2,(H3,30,31)(H,33,34)/t24-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+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 Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis				J Med Chem 57: 955-69 (2014) Article DOI: 10.1021/jm401670x BindingDB Entry DOI: 10.7270/Q2G44RTQ
					More data for this Ligand-Target Pair