BDBM50437705 CHEMBL2409075

SMILES: Cc1oc(cc1C(=O)N[C@H](Cc1nc2ccccc2[nH]1)C(O)=O)-c1ccc(CN)cc1

InChI Key: InChIKey=QDUAMHODEJMNRJ-LJQANCHMSA-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 = 50437705   

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
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50437705 (CHEMBL2409075) Show SMILES Cc1oc(cc1C(=O)N[C@H](Cc1nc2ccccc2[nH]1)C(O)=O)-c1ccc(CN)cc1 |r| Show InChI InChI=1S/C23H22N4O4/c1-13-16(10-20(31-13)15-8-6-14(12-24)7-9-15)22(28)27-19(23(29)30)11-21-25-17-4-2-3-5-18(17)26-21/h2-10,19H,11-12,24H2,1H3,(H,25,26)(H,27,28)(H,29,30)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Horizon Discovery Curated by ChEMBL					Assay Description Inhibition of Pin1 (unknown origin)				Bioorg Med Chem Lett 23: 4283-91 (2013) Article DOI: 10.1016/j.bmcl.2013.05.088 BindingDB Entry DOI: 10.7270/Q2DV1M9T
					More data for this Ligand-Target Pair