Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM361076'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM361076 ((R)-3-((4-(2-amino-1H-benzo[d]imidazol-4-yl)-2-sul...) Show SMILES C[N]1(C)CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C20H23N10O4S2/c1-30(2)9-8-11(10-30)27-36(33,34)15-7-6-12(13-4-3-5-14-17(13)24-20(21)23-14)16(18(15)35(22,31)32)19-25-28-29-26-19/h3-7,11,27H,8-10H2,1-2H3,(H2,21,23)(H2,22,31,32)/b13-12+/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0230	n/a	n/a	n/a	n/a	n/a	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 US10221163 (2019) BindingDB Entry DOI: 10.7270/Q2RX9FB1
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM361076 ((R)-3-((4-(2-amino-1H-benzo[d]imidazol-4-yl)-2-sul...) Show SMILES C[N]1(C)CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C20H23N10O4S2/c1-30(2)9-8-11(10-30)27-36(33,34)15-7-6-12(13-4-3-5-14-17(13)24-20(21)23-14)16(18(15)35(22,31)32)19-25-28-29-26-19/h3-7,11,27H,8-10H2,1-2H3,(H2,21,23)(H2,22,31,32)/b13-12+/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM361076 ((R)-3-((4-(2-amino-1H-benzo[d]imidazol-4-yl)-2-sul...) Show SMILES C[N]1(C)CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C20H23N10O4S2/c1-30(2)9-8-11(10-30)27-36(33,34)15-7-6-12(13-4-3-5-14-17(13)24-20(21)23-14)16(18(15)35(22,31)32)19-25-28-29-26-19/h3-7,11,27H,8-10H2,1-2H3,(H2,21,23)(H2,22,31,32)/b13-12+/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.305	n/a	n/a	n/a	n/a	n/a	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 US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM361076 ((R)-3-((4-(2-amino-1H-benzo[d]imidazol-4-yl)-2-sul...) Show SMILES C[N]1(C)CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C20H23N10O4S2/c1-30(2)9-8-11(10-30)27-36(33,34)15-7-6-12(13-4-3-5-14-17(13)24-20(21)23-14)16(18(15)35(22,31)32)19-25-28-29-26-19/h3-7,11,27H,8-10H2,1-2H3,(H2,21,23)(H2,22,31,32)/b13-12+/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.305	n/a	n/a	n/a	n/a	n/a	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 US10221163 (2019) BindingDB Entry DOI: 10.7270/Q2RX9FB1
					More data for this Ligand-Target Pair