BDBM262688 3-(2-Aminobenzo[d]thiazol-4-yl)-6- (2-(4-aminocyclohexyl)ethyl)-2-(2H- tetrazol-5-yl)benzenesulfonamide::US9708336, 541

SMILES: NC1CCC(CCc2ccc(-c3cccc4sc(N)nc34)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1

InChI Key: InChIKey=IFMLKRYHIGEBQR-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 = 262688   

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
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM262688 (3-(2-Aminobenzo[d]thiazol-4-yl)-6- (2-(4-aminocycl...) Show SMILES NC1CCC(CCc2ccc(-c3cccc4sc(N)nc34)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |(-1.36,-5.8,;-.02,-5.03,;-.02,-3.49,;1.31,-2.72,;2.64,-3.49,;3.98,-2.72,;3.98,-1.18,;2.64,-.41,;1.31,-1.18,;-.02,-.41,;-.02,1.13,;-1.36,1.9,;-1.36,3.44,;-2.69,4.21,;-4.02,3.44,;-4.02,1.9,;-5.17,.86,;-4.54,-.54,;-5.31,-1.88,;-3.01,-.38,;-2.69,1.13,;1.31,1.9,;1.31,3.44,;.06,4.34,;.54,5.8,;2.08,5.8,;2.56,4.34,;2.64,1.13,;3.98,1.9,;4.75,.56,;3.21,3.23,;5.31,2.67,;2.64,-5.03,;1.31,-5.8,)| Show InChI InChI=1S/C22H26N8O2S2/c23-14-9-5-12(6-10-14)4-7-13-8-11-15(16-2-1-3-17-19(16)26-22(24)33-17)18(20(13)34(25,31)32)21-27-29-30-28-21/h1-3,8,11-12,14H,4-7,9-10,23H2,(H2,24,26)(H2,25,31,32)(H,27,28,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.21	n/a	n/a	n/a	n/a	7.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Beta-lactamase VIM-1 (Klebsiella pneumoniae)	BDBM262688 (3-(2-Aminobenzo[d]thiazol-4-yl)-6- (2-(4-aminocycl...) Show SMILES NC1CCC(CCc2ccc(-c3cccc4sc(N)nc34)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |(-1.36,-5.8,;-.02,-5.03,;-.02,-3.49,;1.31,-2.72,;2.64,-3.49,;3.98,-2.72,;3.98,-1.18,;2.64,-.41,;1.31,-1.18,;-.02,-.41,;-.02,1.13,;-1.36,1.9,;-1.36,3.44,;-2.69,4.21,;-4.02,3.44,;-4.02,1.9,;-5.17,.86,;-4.54,-.54,;-5.31,-1.88,;-3.01,-.38,;-2.69,1.13,;1.31,1.9,;1.31,3.44,;.06,4.34,;.54,5.8,;2.08,5.8,;2.56,4.34,;2.64,1.13,;3.98,1.9,;4.75,.56,;3.21,3.23,;5.31,2.67,;2.64,-5.03,;1.31,-5.8,)| Show InChI InChI=1S/C22H26N8O2S2/c23-14-9-5-12(6-10-14)4-7-13-8-11-15(16-2-1-3-17-19(16)26-22(24)33-17)18(20(13)34(25,31)32)21-27-29-30-28-21/h1-3,8,11-12,14H,4-7,9-10,23H2,(H2,24,26)(H2,25,31,32)(H,27,28,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.11	n/a	n/a	n/a	n/a	7.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Beta-lactamase NDM-1 (Klebsiella pneumoniae)	BDBM262688 (3-(2-Aminobenzo[d]thiazol-4-yl)-6- (2-(4-aminocycl...) Show SMILES NC1CCC(CCc2ccc(-c3cccc4sc(N)nc34)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |(-1.36,-5.8,;-.02,-5.03,;-.02,-3.49,;1.31,-2.72,;2.64,-3.49,;3.98,-2.72,;3.98,-1.18,;2.64,-.41,;1.31,-1.18,;-.02,-.41,;-.02,1.13,;-1.36,1.9,;-1.36,3.44,;-2.69,4.21,;-4.02,3.44,;-4.02,1.9,;-5.17,.86,;-4.54,-.54,;-5.31,-1.88,;-3.01,-.38,;-2.69,1.13,;1.31,1.9,;1.31,3.44,;.06,4.34,;.54,5.8,;2.08,5.8,;2.56,4.34,;2.64,1.13,;3.98,1.9,;4.75,.56,;3.21,3.23,;5.31,2.67,;2.64,-5.03,;1.31,-5.8,)| Show InChI InChI=1S/C22H26N8O2S2/c23-14-9-5-12(6-10-14)4-7-13-8-11-15(16-2-1-3-17-19(16)26-22(24)33-17)18(20(13)34(25,31)32)21-27-29-30-28-21/h1-3,8,11-12,14H,4-7,9-10,23H2,(H2,24,26)(H2,25,31,32)(H,27,28,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.133	n/a	n/a	n/a	n/a	7.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair