BDBM50132863 2-{2-[(4-{[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexyloxy)-acetylamino]-methyl}-phenylamino)-methyl]-6-methoxy-phenoxy}-nicotinic acid::CHEMBL111847

SMILES: COc1cccc(CNc2ccc(CNC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)c1Oc1ncccc1C(O)=O

InChI Key: InChIKey=ADQJHBBBDIQCIK-GNPWNAQMSA-N

Data: 1 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 1 hit for monomerid = 50132863   

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
Plasminogen activator inhibitor-1 (Homo sapiens (Human))	BDBM50132863 (2-{2-[(4-{[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cycl...) Show SMILES COc1cccc(CNc2ccc(CNC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)c1Oc1ncccc1C(O)=O Show InChI InChI=1S/C33H41N3O6/c1-21(2)26-15-10-22(3)17-29(26)41-20-30(37)36-18-23-11-13-25(14-12-23)35-19-24-7-5-9-28(40-4)31(24)42-32-27(33(38)39)8-6-16-34-32/h5-9,11-14,16,21-22,26,29,35H,10,15,17-20H2,1-4H3,(H,36,37)(H,38,39)/t22-,26+,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Plasminogen Activator Inhibitor-1 (PAI-1) activity was determined by inhibition of Urokinase-type plasminogen activator using primary assay				Bioorg Med Chem Lett 13: 3361-5 (2003) BindingDB Entry DOI: 10.7270/Q28W3CQ5
					More data for this Ligand-Target Pair