BDBM55866 1-Cyclopropyl-3-{2-[2-(1,3-dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-1H-indol-3-yl]-eth yl}-thiourea::1-cyclopropyl-3-[2-[2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-3-yl]ethyl]thiourea::1-cyclopropyl-3-[2-[2-[(2,4,6-triketo-1,3-dimethyl-hexahydropyrimidin-5-ylidene)methyl]-1H-indol-3-yl]ethyl]thiourea::1-cyclopropyl-3-[2-[2-[[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-1H-indol-3-yl]ethyl]thiourea::MLS000332961::SMR000436309::cid_5620224

SMILES: CN1C(=O)N(C)C(=O)C(=Cc2[nH]c3ccccc3c2CCNC(=S)NC2CC2)C1=O

InChI Key: InChIKey=KAOMWIDMUPJQOK-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 55866   

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
neutrophil cytosolic factor 1 (Homo sapiens (Human))	BDBM55866 (1-Cyclopropyl-3-{2-[2-(1,3-dimethyl-2,4,6-trioxo-t...) Show SMILES CN1C(=O)N(C)C(=O)C(=Cc2[nH]c3ccccc3c2CCNC(=S)NC2CC2)C1=O |(14.98,-2.98,;13.64,-3.75,;13.64,-5.29,;14.98,-6.06,;12.31,-6.06,;12.31,-7.6,;10.98,-5.29,;9.64,-6.06,;10.98,-3.75,;9.64,-2.98,;8.1,-2.98,;7.2,-4.22,;5.75,-3.75,;4.41,-4.52,;3.08,-3.75,;3.08,-2.21,;4.41,-1.44,;5.75,-2.21,;7.2,-1.74,;7.68,-.27,;6.65,.87,;7.13,2.34,;6.1,3.48,;4.6,3.16,;6.58,4.94,;5.55,6.09,;5.24,7.6,;4.09,6.57,;12.31,-2.98,;12.31,-1.44,)| Show InChI InChI=1S/C21H23N5O3S/c1-25-18(27)15(19(28)26(2)21(25)29)11-17-14(13-5-3-4-6-16(13)24-17)9-10-22-20(30)23-12-7-8-12/h3-6,11-12,24H,7-10H2,1-2H3,(H2,22,23,30)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM55866 (1-Cyclopropyl-3-{2-[2-(1,3-dimethyl-2,4,6-trioxo-t...) Show SMILES CN1C(=O)N(C)C(=O)C(=Cc2[nH]c3ccccc3c2CCNC(=S)NC2CC2)C1=O |(14.98,-2.98,;13.64,-3.75,;13.64,-5.29,;14.98,-6.06,;12.31,-6.06,;12.31,-7.6,;10.98,-5.29,;9.64,-6.06,;10.98,-3.75,;9.64,-2.98,;8.1,-2.98,;7.2,-4.22,;5.75,-3.75,;4.41,-4.52,;3.08,-3.75,;3.08,-2.21,;4.41,-1.44,;5.75,-2.21,;7.2,-1.74,;7.68,-.27,;6.65,.87,;7.13,2.34,;6.1,3.48,;4.6,3.16,;6.58,4.94,;5.55,6.09,;5.24,7.6,;4.09,6.57,;12.31,-2.98,;12.31,-1.44,)| Show InChI InChI=1S/C21H23N5O3S/c1-25-18(27)15(19(28)26(2)21(25)29)11-17-14(13-5-3-4-6-16(13)24-17)9-10-22-20(30)23-12-7-8-12/h3-6,11-12,24H,7-10H2,1-2H3,(H2,22,23,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.67E+5	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2DN43RH
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM55866 (1-Cyclopropyl-3-{2-[2-(1,3-dimethyl-2,4,6-trioxo-t...) Show SMILES CN1C(=O)N(C)C(=O)C(=Cc2[nH]c3ccccc3c2CCNC(=S)NC2CC2)C1=O |(14.98,-2.98,;13.64,-3.75,;13.64,-5.29,;14.98,-6.06,;12.31,-6.06,;12.31,-7.6,;10.98,-5.29,;9.64,-6.06,;10.98,-3.75,;9.64,-2.98,;8.1,-2.98,;7.2,-4.22,;5.75,-3.75,;4.41,-4.52,;3.08,-3.75,;3.08,-2.21,;4.41,-1.44,;5.75,-2.21,;7.2,-1.74,;7.68,-.27,;6.65,.87,;7.13,2.34,;6.1,3.48,;4.6,3.16,;6.58,4.94,;5.55,6.09,;5.24,7.6,;4.09,6.57,;12.31,-2.98,;12.31,-1.44,)| Show InChI InChI=1S/C21H23N5O3S/c1-25-18(27)15(19(28)26(2)21(25)29)11-17-14(13-5-3-4-6-16(13)24-17)9-10-22-20(30)23-12-7-8-12/h3-6,11-12,24H,7-10H2,1-2H3,(H2,22,23,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2JD4VGV
					More data for this Ligand-Target Pair