BDBM50388933 CHEMBL2063403

SMILES: O=C1N[C@H]2CS[C@@H](CCCCC#C)[C@H]2N1

InChI Key: InChIKey=MGFIEEWTLUFGHD-GUBZILKMSA-N

Data: 1 KI

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 1 hit for monomerid = 50388933   

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
Biotin--protein ligase (Homo sapiens (Human))	BDBM50388933 (CHEMBL2063403) Show SMILES O=C1N[C@H]2CS[C@@H](CCCCC#C)[C@H]2N1 |r| Show InChI InChI=1S/C11H16N2OS/c1-2-3-4-5-6-9-10-8(7-15-9)12-11(14)13-10/h1,8-10H,3-7H2,(H2,12,13,14)/t8-,9-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-biotin from human BPL after 20 mins by scintillation counting				ACS Med Chem Lett 3: 509-514 (2012) Article DOI: 10.1021/ml300106p BindingDB Entry DOI: 10.7270/Q2DZ09CN
					More data for this Ligand-Target Pair