BDBM50431225 CHEMBL2332609

SMILES: [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O

InChI Key: InChIKey=DVVDZZBBFOAWRK-YTBIUMBYSA-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 = 50431225   

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
Factor XIIa (Homo sapiens (Human))	BDBM50431225 (CHEMBL2332609) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C55H91N17O19S3/c1-24(2)17-32(46(82)69-36(22-93)49(85)68-34(20-73)54(90)91)67-45(81)30(13-10-16-60-55(58)59)64-47(83)33(18-29-11-8-7-9-12-29)66-43(79)25(3)62-48(84)35(21-92)63-39(78)19-61-44(80)31(14-15-38(56)77)65-52(88)41(27(5)75)72-53(89)42(28(6)76)71-50(86)37(23-94)70-51(87)40(57)26(4)74/h7-9,11-12,24-28,30-37,40-42,73-76,92-94H,10,13-23,57H2,1-6H3,(H2,56,77)(H,61,80)(H,62,84)(H,63,78)(H,64,83)(H,65,88)(H,66,79)(H,67,81)(H,68,85)(H,69,82)(H,70,87)(H,71,86)(H,72,89)(H,90,91)(H4,58,59,60)/t25-,26+,27+,28+,30-,31-,32-,33-,34-,35-,36-,37-,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne EPFL Curated by ChEMBL					Assay Description Inhibition of human biotinylated beta factor 12a expressed in Escherichia coli TG1 using Z-Gly-Gly-Arg-AMC as substrate assessed as residual activity...				J Med Chem 56: 3742-6 (2013) Article DOI: 10.1021/jm400236j BindingDB Entry DOI: 10.7270/Q2GX4CXF
					More data for this Ligand-Target Pair