null

SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(Oc2ccc(cc2)C(O)=O)ccc1[N+]([O-])=O

InChI Key: InChIKey=GXGODOFIHUMDRB-NIJIEXERSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50132862   

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))	BDBM50132862 (4-{3-[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexy...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(Oc2ccc(cc2)C(O)=O)ccc1[N+]([O-])=O Show InChI InChI=1S/C25H30N2O7/c1-15(2)20-10-4-16(3)12-23(20)33-14-24(28)26-21-13-19(9-11-22(21)27(31)32)34-18-7-5-17(6-8-18)25(29)30/h5-9,11,13,15-16,20,23H,4,10,12,14H2,1-3H3,(H,26,28)(H,29,30)/t16-,20+,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	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 using plasma clot lysis assay				Bioorg Med Chem Lett 13: 3361-5 (2003) BindingDB Entry DOI: 10.7270/Q28W3CQ5
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50132862 (4-{3-[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexy...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(Oc2ccc(cc2)C(O)=O)ccc1[N+]([O-])=O Show InChI InChI=1S/C25H30N2O7/c1-15(2)20-10-4-16(3)12-23(20)33-14-24(28)26-21-13-19(9-11-22(21)27(31)32)34-18-7-5-17(6-8-18)25(29)30/h5-9,11,13,15-16,20,23H,4,10,12,14H2,1-3H3,(H,26,28)(H,29,30)/t16-,20+,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	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 using plasma clot lysis assay				Bioorg Med Chem Lett 13: 3361-5 (2003) BindingDB Entry DOI: 10.7270/Q28W3CQ5
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50132862 (4-{3-[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexy...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(Oc2ccc(cc2)C(O)=O)ccc1[N+]([O-])=O Show InChI InChI=1S/C25H30N2O7/c1-15(2)20-10-4-16(3)12-23(20)33-14-24(28)26-21-13-19(9-11-22(21)27(31)32)34-18-7-5-17(6-8-18)25(29)30/h5-9,11,13,15-16,20,23H,4,10,12,14H2,1-3H3,(H,26,28)(H,29,30)/t16-,20+,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1)				Bioorg Med Chem Lett 14: 761-5 (2004) BindingDB Entry DOI: 10.7270/Q26T0M23
					More data for this Ligand-Target Pair