BDBM93044 L-Methyl ester tryptophan, 8

SMILES: COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12

InChI Key: InChIKey=KCUNTYMNJVXYKZ-JTQLQIEISA-N

Data: 3 Kd

PDB links: 1 PDB ID matches 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 = 93044   

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
DNA repair and recombination protein (RadA) (Pyrococcus furiosus)	BDBM93044 (L-Methyl ester tryptophan, 8) Show SMILES COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C12H14N2O2/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-5,7,10,14H,6,13H2,1H3/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	5.70E+5	n/a	n/a	n/a	n/a	n/a
University of Cambridge					Assay Description The thermal-shift denaturation assay was performed on an iCycler iQ Real Time Detection System (BioRad) in 96-well iCycler iQ PCR plates sealed with ...				Chembiochem 14: 332-42 (2013) Article DOI: 10.1002/cbic.201200521 BindingDB Entry DOI: 10.7270/Q2QF8RHG
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM93044 (L-Methyl ester tryptophan, 8) Show SMILES COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C12H14N2O2/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-5,7,10,14H,6,13H2,1H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	5.70E+5	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to of humanised RAD51 C-terminal ATPase domain (with deletion of L2 loop residues 288 to 314) from Pyrococcus furiosus expressed in ...				J Med Chem 60: 89-99 (2017) Article DOI: 10.1021/acs.jmedchem.6b01123 BindingDB Entry DOI: 10.7270/Q2R78H5B
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM93044 (L-Methyl ester tryptophan, 8) Show SMILES COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C12H14N2O2/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-5,7,10,14H,6,13H2,1H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	5.70E+5	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to RAD51 (unknown origin) by isothermal calorimetry				Bioorg Med Chem Lett 25: 2461-8 (2015) Article DOI: 10.1016/j.bmcl.2015.04.089 BindingDB Entry DOI: 10.7270/Q2SF2XVC
					More data for this Ligand-Target Pair