BDBM40022 MLS000085771::N-(2-{[2-(cyclopropylamino)-2-oxoethyl]thio}-1,3-benzothiazol-6-yl)-2-[(1-methyl-1H-imidazol-2-yl)thio]acetamide::N-[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide::N-[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide::N-[2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-[(1-methylimidazol-2-yl)thio]acetamide::N-[2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-[(1-methyl-2-imidazolyl)thio]acetamide::SMR000020900::cid_3239187

SMILES: Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1

InChI Key: InChIKey=JUDTVKIVKQBWIR-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 40022   

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
Estrogen receptor (Homo sapiens (Human))	BDBM40022 (MLS000085771 | N-(2-{[2-(cyclopropylamino)-2-oxoet...) Show SMILES Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1 Show InChI InChI=1S/C18H19N5O2S3/c1-23-7-6-19-17(23)26-9-15(24)21-12-4-5-13-14(8-12)28-18(22-13)27-10-16(25)20-11-2-3-11/h4-8,11H,2-3,9-10H2,1H3,(H,20,25)(H,21,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	24.3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossni...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HQ3XB9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM40022 (MLS000085771 | N-(2-{[2-(cyclopropylamino)-2-oxoet...) Show SMILES Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1 Show InChI InChI=1S/C18H19N5O2S3/c1-23-7-6-19-17(23)26-9-15(24)21-12-4-5-13-14(8-12)28-18(22-13)27-10-16(25)20-11-2-3-11/h4-8,11H,2-3,9-10H2,1H3,(H,20,25)(H,21,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.57E+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: John A. Katzenellenbogen, ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
					More data for this Ligand-Target Pair
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa)	BDBM40022 (MLS000085771 | N-(2-{[2-(cyclopropylamino)-2-oxoet...) Show SMILES Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1 Show InChI InChI=1S/C18H19N5O2S3/c1-23-7-6-19-17(23)26-9-15(24)21-12-4-5-13-14(8-12)28-18(22-13)27-10-16(25)20-11-2-3-11/h4-8,11H,2-3,9-10H2,1H3,(H,20,25)(H,21,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa)	BDBM40022 (MLS000085771 | N-(2-{[2-(cyclopropylamino)-2-oxoet...) Show SMILES Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1 Show InChI InChI=1S/C18H19N5O2S3/c1-23-7-6-19-17(23)26-9-15(24)21-12-4-5-13-14(8-12)28-18(22-13)27-10-16(25)20-11-2-3-11/h4-8,11H,2-3,9-10H2,1H3,(H,20,25)(H,21,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2SF2TM0
					More data for this Ligand-Target Pair
Beta lactamase (Pseudomonas aeruginosa)	BDBM40022 (MLS000085771 | N-(2-{[2-(cyclopropylamino)-2-oxoet...) Show SMILES Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1 Show InChI InChI=1S/C18H19N5O2S3/c1-23-7-6-19-17(23)26-9-15(24)21-12-4-5-13-14(8-12)28-18(22-13)27-10-16(25)20-11-2-3-11/h4-8,11H,2-3,9-10H2,1H3,(H,20,25)(H,21,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.00E+3	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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NS0S90
					More data for this Ligand-Target Pair
Beta lactamase (Pseudomonas aeruginosa)	BDBM40022 (MLS000085771 | N-(2-{[2-(cyclopropylamino)-2-oxoet...) Show SMILES Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1 Show InChI InChI=1S/C18H19N5O2S3/c1-23-7-6-19-17(23)26-9-15(24)21-12-4-5-13-14(8-12)28-18(22-13)27-10-16(25)20-11-2-3-11/h4-8,11H,2-3,9-10H2,1H3,(H,20,25)(H,21,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.99E+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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2X63KBQ
					More data for this Ligand-Target Pair