BDBM50219275 CHEMBL249691::tert-butyl 4-(5-(aminomethyl)-2-(8-methoxy-2-(trifluoromethyl)quinolin-5-yl)oxazole-4-carbonyl)piperazine-1-carboxylate

SMILES: COc1ccc(-c2nc(C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)c(CN)o2)c2ccc(nc12)C(F)(F)F

InChI Key: InChIKey=PYQKWFDIHMQDQJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50219275   

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
Phosphodiesterase 11A (Homo sapiens (Human))	BDBM50219275 (CHEMBL249691 | tert-butyl 4-(5-(aminomethyl)-2-(8-...) Show SMILES COc1ccc(-c2nc(C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)c(CN)o2)c2ccc(nc12)C(F)(F)F Show InChI InChI=1S/C25H28F3N5O5/c1-24(2,3)38-23(35)33-11-9-32(10-12-33)22(34)20-17(13-29)37-21(31-20)15-5-7-16(36-4)19-14(15)6-8-18(30-19)25(26,27)28/h5-8H,9-13,29H2,1-4H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of PDE11				Bioorg Med Chem Lett 17: 5150-4 (2007) Article DOI: 10.1016/j.bmcl.2007.06.092 BindingDB Entry DOI: 10.7270/Q2862G4H
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50219275 (CHEMBL249691 | tert-butyl 4-(5-(aminomethyl)-2-(8-...) Show SMILES COc1ccc(-c2nc(C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)c(CN)o2)c2ccc(nc12)C(F)(F)F Show InChI InChI=1S/C25H28F3N5O5/c1-24(2,3)38-23(35)33-11-9-32(10-12-33)22(34)20-17(13-29)37-21(31-20)15-5-7-16(36-4)19-14(15)6-8-18(30-19)25(26,27)28/h5-8H,9-13,29H2,1-4H3	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	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of PDE10				Bioorg Med Chem Lett 17: 5150-4 (2007) Article DOI: 10.1016/j.bmcl.2007.06.092 BindingDB Entry DOI: 10.7270/Q2862G4H
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50219275 (CHEMBL249691 | tert-butyl 4-(5-(aminomethyl)-2-(8-...) Show SMILES COc1ccc(-c2nc(C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)c(CN)o2)c2ccc(nc12)C(F)(F)F Show InChI InChI=1S/C25H28F3N5O5/c1-24(2,3)38-23(35)33-11-9-32(10-12-33)22(34)20-17(13-29)37-21(31-20)15-5-7-16(36-4)19-14(15)6-8-18(30-19)25(26,27)28/h5-8H,9-13,29H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of PDE4B				Bioorg Med Chem Lett 17: 5150-4 (2007) Article DOI: 10.1016/j.bmcl.2007.06.092 BindingDB Entry DOI: 10.7270/Q2862G4H
					More data for this Ligand-Target Pair