BDBM42143 MLS000081881::N-[2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)ethyl]thiophene-2-carboxamide::N-[2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-thiophenecarboxamide::N-[2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]thiophene-2-carboxamide::SMR000060526::cid_2998406

SMILES: O=C(NC(Cc1c[nH]c2ccccc12)c1nnc2CCCCCn12)c1cccs1

InChI Key: InChIKey=CNBSRHBQTKUNMD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 42143   

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
YopH (Yersinia enterocolitica)	BDBM42143 (MLS000081881 | N-[2-(1H-indol-3-yl)-1-(6,7,8,9-tet...) Show SMILES O=C(NC(Cc1c[nH]c2ccccc12)c1nnc2CCCCCn12)c1cccs1 Show InChI InChI=1S/C22H23N5OS/c28-22(19-9-6-12-29-19)24-18(13-15-14-23-17-8-4-3-7-16(15)17)21-26-25-20-10-2-1-5-11-27(20)21/h3-4,6-9,12,14,18,23H,1-2,5,10-11,13H2,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2794330
					More data for this Ligand-Target Pair
YopH (Yersinia enterocolitica)	BDBM42143 (MLS000081881 | N-[2-(1H-indol-3-yl)-1-(6,7,8,9-tet...) Show SMILES O=C(NC(Cc1c[nH]c2ccccc12)c1nnc2CCCCCn12)c1cccs1 Show InChI InChI=1S/C22H23N5OS/c28-22(19-9-6-12-29-19)24-18(13-15-14-23-17-8-4-3-7-16(15)17)21-26-25-20-10-2-1-5-11-27(20)21/h3-4,6-9,12,14,18,23H,1-2,5,10-11,13H2,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2C24TVC
					More data for this Ligand-Target Pair
YopH (Yersinia enterocolitica)	BDBM42143 (MLS000081881 | N-[2-(1H-indol-3-yl)-1-(6,7,8,9-tet...) Show SMILES O=C(NC(Cc1c[nH]c2ccccc12)c1nnc2CCCCCn12)c1cccs1 Show InChI InChI=1S/C22H23N5OS/c28-22(19-9-6-12-29-19)24-18(13-15-14-23-17-8-4-3-7-16(15)17)21-26-25-20-10-2-1-5-11-27(20)21/h3-4,6-9,12,14,18,23H,1-2,5,10-11,13H2,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GT5KKS
					More data for this Ligand-Target Pair