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BDBM50087861 1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-5-amino-pentanoylamino]-propionylamino}-acetyl)-pyrrolidine-2-carboxylic acid [1-(1-carbamoyl-ethylcarbamoyl)-2-methyl-butyl]-amide::CHEMBL295941

SMILES: CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@H](C)C(N)=O

InChI Key: InChIKey=CWURWBNXKSFBQN-OWIIFVKOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50087861   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
FK506 binding protein 4


(Homo sapiens (Human))		BDBM50087861
PNG
(1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-5...)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C31H55N9O8/c1-8-17(4)25(31(48)35-18(5)26(33)43)39-29(46)22-12-10-14-40(22)23(42)15-34-27(44)19(6)36-28(45)21(11-9-13-32)38-30(47)24(16(2)3)37-20(7)41/h16-19,21-22,24-25H,8-15,32H2,1-7H3,(H2,33,43)(H,34,44)(H,35,48)(H,36,45)(H,37,41)(H,38,47)(H,39,46)/t17-,18-,19+,21+,22+,24+,25-/m1/s1
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MMDB

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PC cid
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Similars
PubMed
n/an/a>1.00E+7n/an/an/an/an/an/a



D�partement D'Ing�nierie et D'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
50% inhibitory concentration of competitive binding against hCyp-18 PPIase activity using uncoupled assay

J Med Chem 43: 1770-9 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ9135
More data for this
Ligand-Target Pair