BDBM50212638 CHEMBL302512

SMILES: [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O

InChI Key: InChIKey=XQHZBWNBBIUYCN-FWWHASMVSA-N

Data: 10 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 10 hits for monomerid = 50212638   

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
Beta-lactamase (Enterobacter cloacae)	BDBM50212638 (CHEMBL302512) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	374	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Enterobacter cloacae HC8 Class-I beta-lactamase enzyme type P99				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase BRO-1 (Moraxella catarrhalis)	BDBM50212638 (CHEMBL302512) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	8.64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Branhamella catarrhalis 89001 Class-III BRO-1 type beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
SHV-1 beta-lactamase (Klebsiella pneumoniae (Enterobacteria))	BDBM50212638 (CHEMBL302512) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Escherichia coli HA208 Class-III SHV-1 type beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Class D β-lactamase (OXA-1) (Escherichia coli (Enterobacteria))	BDBM50212638 (CHEMBL302512) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	92.1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Escherichia coli HA209 Class-V OXA-1 type beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase (TEM-1) (Escherichia coli)	BDBM50212638 (CHEMBL302512) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	17.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Escherichia coli HA58R Class-III TEM-1 type beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase type II (Bacteroides fragilis)	BDBM50212638 (CHEMBL302512) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	BDBM50212638 (CHEMBL302512) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase (Proteus mirabilis)	BDBM50212638 (CHEMBL302512) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Proteus vulgaris HJ33C Class-I beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase (Citrobacter freundii)	BDBM50212638 (CHEMBL302512) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	37.4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella oxytoca)	BDBM50212638 (CHEMBL302512) Show SMILES [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O Show InChI InChI=1S/C10H13N5O5S2/c1-10(4-21-9-11-12-13-14(9)2)7(8(17)18)15-5(16)3-6(15)22(10,19)20/h6-7H,3-4H2,1-2H3,(H,17,18)/t6-,7+,10+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Klebsiella oxytoca HC7 Class-IV K1 type beta-lactamase enzyme				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T
					More data for this Ligand-Target Pair