BDBM50307098 6-(2'-((dimethylamino)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-3a,4,5,6-tetrahydro-1H-pyrazolo[3,4-c]pyridin-7(7aH)-one::CHEMBL592401

SMILES: CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(c1)-c1n[nH]c(=O)[nH]1)C(F)(F)F

InChI Key: InChIKey=XTWWNKNLOIVLSM-UHFFFAOYSA-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 = 50307098   

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 X (Homo sapiens (Human))	BDBM50307098 (6-(2'-((dimethylamino)methyl)biphenyl-4-yl)-1-(3-(...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(c1)-c1n[nH]c(=O)[nH]1)C(F)(F)F Show InChI InChI=1S/C30H26F3N7O2/c1-38(2)17-20-6-3-4-9-23(20)18-10-12-21(13-11-18)39-15-14-24-25(28(39)41)40(37-26(24)30(31,32)33)22-8-5-7-19(16-22)27-34-29(42)36-35-27/h3-13,16H,14-15,17H2,1-2H3,(H2,34,35,36,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 20: 1373-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.011 BindingDB Entry DOI: 10.7270/Q2FQ9WQG
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50307098 (6-(2'-((dimethylamino)methyl)biphenyl-4-yl)-1-(3-(...) Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(c1)-c1n[nH]c(=O)[nH]1)C(F)(F)F Show InChI InChI=1S/C30H26F3N7O2/c1-38(2)17-20-6-3-4-9-23(20)18-10-12-21(13-11-18)39-15-14-24-25(28(39)41)40(37-26(24)30(31,32)33)22-8-5-7-19(16-22)27-34-29(42)36-35-27/h3-13,16H,14-15,17H2,1-2H3,(H2,34,35,36,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human factor 2a				Bioorg Med Chem Lett 20: 1373-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.011 BindingDB Entry DOI: 10.7270/Q2FQ9WQG
					More data for this Ligand-Target Pair