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SMILES: Cc1ccc(cc1)-c1nn(cc1C1CC(=NN1C(=O)CCC(O)=O)c1ccc(Br)cc1)-c1ccccc1

InChI Key: InChIKey=CQMZDFGWWCEQNX-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 260649   
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
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))		BDBM260649
PNG
(US9533969, TDRL-522)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C1CC(=NN1C(=O)CCC(O)=O)c1ccc(Br)cc1)-c1ccccc1 |c:16|
Show InChI InChI=1S/C29H25BrN4O3/c1-19-7-9-21(10-8-19)29-24(18-33(32-29)23-5-3-2-4-6-23)26-17-25(20-11-13-22(30)14-12-20)31-34(26)27(35)15-16-28(36)37/h2-14,18,26H,15-17H2,1H3,(H,36,37)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.61E+4n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
Small molecule inhibitors were obtained from ChemDiv and resuspended in DMSO. Compound TDLR-505 was independently synthesized and structure confirmed...

US Patent US9533969 (2017)


BindingDB Entry DOI: 10.7270/Q2445KDJ
More data for this
Ligand-Target Pair