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BDBM50125725 1,1'-(4,6-dibromo-1,3-phenylene)bis(3-(2-carbamoylphenyl))urea::2-(3-{2,4-Dibromo-5-[3-(2-carbamoyl-phenyl)-ureido]-phenyl}-ureido)-benzamide::CHEMBL13693

SMILES: NC(=O)c1ccccc1NC(=O)Nc1cc(NC(=O)Nc2ccccc2C(N)=O)c(Br)cc1Br

InChI Key: InChIKey=ZXCXBKHCTZDQCN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50125725   
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
Cyclophilin A


(Rattus norvegicus)		BDBM50125725
PNG
(1,1'-(4,6-dibromo-1,3-phenylene)bis(3-(2-carbamoyl...)
Show SMILES NC(=O)c1ccccc1NC(=O)Nc1cc(NC(=O)Nc2ccccc2C(N)=O)c(Br)cc1Br
Show InChI InChI=1S/C22H18Br2N6O4/c23-13-9-14(24)18(30-22(34)28-16-8-4-2-6-12(16)20(26)32)10-17(13)29-21(33)27-15-7-3-1-5-11(15)19(25)31/h1-10H,(H2,25,31)(H2,26,32)(H2,27,29,33)(H2,28,30,34)
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PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Guilford Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)

J Med Chem 46: 1112-5 (2003)


Article DOI: 10.1021/jm020409u
BindingDB Entry DOI: 10.7270/Q2V1244X
More data for this
Ligand-Target Pair