BDBM50087855 1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3-(3H-imidazol-4-yl)-propionylamino]-propionylamino}-acetyl)-pyrrolidine-2-carboxylic acid [(1-carbamoyl-ethylcarbamoyl)-phenyl-methyl]-amide::CHEMBL300089

SMILES: CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C)C(N)=O)c1ccccc1

InChI Key: InChIKey=UVIRZTGCRKJBQP-NGFMZXAOSA-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 = 50087855   

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 A (Homo sapiens (Human))	BDBM50087855 (1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3...) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C)C(N)=O)c1ccccc1 Show InChI InChI=1S/C34H48N10O8/c1-18(2)27(41-21(5)45)33(51)42-24(14-23-15-36-17-38-23)31(49)40-20(4)30(48)37-16-26(46)44-13-9-12-25(44)32(50)43-28(22-10-7-6-8-11-22)34(52)39-19(3)29(35)47/h6-8,10-11,15,17-20,24-25,27-28H,9,12-14,16H2,1-5H3,(H2,35,47)(H,36,38)(H,37,48)(H,39,52)(H,40,49)(H,41,45)(H,42,51)(H,43,50)/t19-,20+,24+,25+,27+,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
D�partement D'Ing�nierie et D'Etudes des Prot�ines Curated by ChEMBL					Assay Description 50% inhibitory concentration of competitive binding against human Peptidyl-prolyl isomerase activity using uncoupled assay				J Med Chem 43: 1770-9 (2000) BindingDB Entry DOI: 10.7270/Q2SQ9135
					More data for this Ligand-Target Pair