BDBM50434379 CLADOSPORIN

SMILES: C[C@H]1CCC[C@H](C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)O1

InChI Key: InChIKey=WOMKDMUZNBFXKG-ZWKOPEQDSA-N

Data: 3 IC50

PDB links: 9 PDB IDs match this monomer.

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 = 50434379   

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
Lysyl-tRNA synthetase (Homo sapiens (Human))	BDBM50434379 (CLADOSPORIN) Show SMILES C[C@H]1CCC[C@H](C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)O1 |r| Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic lysyl-tRNA synthetase				Bioorg Med Chem Lett 23: 2829-43 (2013) Article DOI: 10.1016/j.bmcl.2013.03.067 BindingDB Entry DOI: 10.7270/Q20R9QSM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysyl-tRNA synthetase (Homo sapiens (Human))	BDBM50434379 (CLADOSPORIN) Show SMILES C[C@H]1CCC[C@H](C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)O1 |r| Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-National Chemical Laboratory Curated by ChEMBL					Assay Description Inhibition of human KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 1 hr in presence of L-lysine by AMP-GLO assay				J Med Chem 61: 5664-5678 (2018) Article DOI: 10.1021/acs.jmedchem.8b00565 BindingDB Entry DOI: 10.7270/Q2VM4FVP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine--tRNA ligase (Plasmodium falciparum (isolate 3D7))	BDBM50434379 (CLADOSPORIN) Show SMILES C[C@H]1CCC[C@H](C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)O1 |r| Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-National Chemical Laboratory Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 45 mins in presence of L-lysine by AMP-...				J Med Chem 61: 5664-5678 (2018) Article DOI: 10.1021/acs.jmedchem.8b00565 BindingDB Entry DOI: 10.7270/Q2VM4FVP
					More data for this Ligand-Target Pair				3D Structure (crystal)