BDBM50170730 CHEMBL371852::Phosphoric acid mono-[(1R,2S)-2-[4,4-bis-(4-hydroxy-phenyl)-pentanoylamino]-3-((S)-2-carbamoyl-2,5-dihydro-pyrrol-1-yl)-1-methyl-3-oxo-propyl] ester

SMILES: C[C@@H](OP(O)(O)=O)[C@H](NC(=O)CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1)C(=O)N1CC=C[C@H]1C(N)=O

InChI Key: InChIKey=GPILEOZKADFFQU-HNKPZJSLSA-N

Data: 1 Kd

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 = 50170730   

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))	BDBM50170730 (CHEMBL371852 | Phosphoric acid mono-[(1R,2S)-2-[4,...) Show SMILES C[C@@H](OP(O)(O)=O)[C@H](NC(=O)CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1)C(=O)N1CC=C[C@H]1C(N)=O |c:35| Show InChI InChI=1S/C26H32N3O9P/c1-16(38-39(35,36)37)23(25(34)29-15-3-4-21(29)24(27)33)28-22(32)13-14-26(2,17-5-9-19(30)10-6-17)18-7-11-20(31)12-8-18/h3-12,16,21,23,30-31H,13-15H2,1-2H3,(H2,27,33)(H,28,32)(H2,35,36,37)/t16-,21+,23+/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	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
CNRS-University of Lille 2 UMR 8525 Curated by ChEMBL					Assay Description Dissociation constant for human peptidyl-prolyl cis-trans isomerase NIMA-interacting 1				J Med Chem 48: 4815-23 (2005) Article DOI: 10.1021/jm0500119 BindingDB Entry DOI: 10.7270/Q2542N4Z
					More data for this Ligand-Target Pair