BDBM50219268 CHEMBL399298::tert-butyl (R)-1-(5-(aminomethyl)-2-(8-methoxy-2-(trifluoromethyl)quinolin-5-yl)oxazole-4-carbonyl)pyrrolidin-3-ylcarbamate

SMILES: COc1ccc(-c2nc(C(=O)N3CC[C@H](C3)NC(=O)OC(C)(C)C)c(CN)o2)c2ccc(nc12)C(F)(F)F

InChI Key: InChIKey=BJMBBXFCGSCMCV-CYBMUJFWSA-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 = 50219268   

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))	BDBM50219268 (CHEMBL399298 | tert-butyl (R)-1-(5-(aminomethyl)-2...) Show SMILES COc1ccc(-c2nc(C(=O)N3CC[C@H](C3)NC(=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)30-13-9-10-33(12-13)22(34)20-17(11-29)37-21(32-20)15-5-7-16(36-4)19-14(15)6-8-18(31-19)25(26,27)28/h5-8,13H,9-12,29H2,1-4H3,(H,30,35)/t13-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	820	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))	BDBM50219268 (CHEMBL399298 | tert-butyl (R)-1-(5-(aminomethyl)-2...) Show SMILES COc1ccc(-c2nc(C(=O)N3CC[C@H](C3)NC(=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)30-13-9-10-33(12-13)22(34)20-17(11-29)37-21(32-20)15-5-7-16(36-4)19-14(15)6-8-18(31-19)25(26,27)28/h5-8,13H,9-12,29H2,1-4H3,(H,30,35)/t13-/m1/s1	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	130	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))	BDBM50219268 (CHEMBL399298 | tert-butyl (R)-1-(5-(aminomethyl)-2...) Show SMILES COc1ccc(-c2nc(C(=O)N3CC[C@H](C3)NC(=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)30-13-9-10-33(12-13)22(34)20-17(11-29)37-21(32-20)15-5-7-16(36-4)19-14(15)6-8-18(31-19)25(26,27)28/h5-8,13H,9-12,29H2,1-4H3,(H,30,35)/t13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	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