BDBM95006 1-Ethyl-6-fluoro-7-[4-(3-methyl-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3- carboxylic acid::1-ethyl-6-fluoranyl-7-[4-[(3-methylphenyl)carbonylcarbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid::1-ethyl-6-fluoro-4-keto-7-[4-(m-toluoylthiocarbamoyl)piperazino]quinoline-3-carboxylic acid::1-ethyl-6-fluoro-7-[4-[(3-methylbenzoyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid::1-ethyl-6-fluoro-7-[4-[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid::MLS000777985::SMR000414379::cid_1517201

SMILES: CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1cccc(C)c1

InChI Key: InChIKey=PYRGAQAVLCGCTA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 95006   

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
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM95006 (1-Ethyl-6-fluoro-7-[4-(3-methyl-benzoylaminocarbot...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1cccc(C)c1 Show InChI InChI=1S/C25H25FN4O4S/c1-3-28-14-18(24(33)34)22(31)17-12-19(26)21(13-20(17)28)29-7-9-30(10-8-29)25(35)27-23(32)16-6-4-5-15(2)11-16/h4-6,11-14H,3,7-10H2,1-2H3,(H,33,34)(H,27,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2JD4VDZ
					More data for this Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM95006 (1-Ethyl-6-fluoro-7-[4-(3-methyl-benzoylaminocarbot...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1cccc(C)c1 Show InChI InChI=1S/C25H25FN4O4S/c1-3-28-14-18(24(33)34)22(31)17-12-19(26)21(13-20(17)28)29-7-9-30(10-8-29)25(35)27-23(32)16-6-4-5-15(2)11-16/h4-6,11-14H,3,7-10H2,1-2H3,(H,33,34)(H,27,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2GM85XC
					More data for this Ligand-Target Pair