Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   

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
CD44 antigen   (131/149 = 88%)† (Homo sapiens (Human))	BDBM50008916 (CHEMBL3237626) Show SMILES Cc1nc[nH]c1CN1CCc2ccccc2C1 Show InChI InChI=1S/C14H17N3/c1-11-14(16-10-15-11)9-17-7-6-12-4-2-3-5-13(12)8-17/h2-5,10H,6-9H2,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.41E+7	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay				J Med Chem 57: 2714-25 (2014) Article DOI: 10.1021/jm5000276 BindingDB Entry DOI: 10.7270/Q2MG7R2P
					More data for this Ligand-Target Pair				3D Structure (crystal)
CD44 antigen   (131/149 = 88%)† (Homo sapiens (Human))	BDBM50008916 (CHEMBL3237626) Show SMILES Cc1nc[nH]c1CN1CCc2ccccc2C1 Show InChI InChI=1S/C14H17N3/c1-11-14(16-10-15-11)9-17-7-6-12-4-2-3-5-13(12)8-17/h2-5,10H,6-9H2,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	4.60E+6	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay				J Med Chem 57: 2714-25 (2014) Article DOI: 10.1021/jm5000276 BindingDB Entry DOI: 10.7270/Q2MG7R2P
					More data for this Ligand-Target Pair				3D Structure (crystal)
CD44 antigen   (149/149 = 100%)† (Mus musculus)	BDBM50008916 (CHEMBL3237626) Show SMILES Cc1nc[nH]c1CN1CCc2ccccc2C1 Show InChI InChI=1S/C14H17N3/c1-11-14(16-10-15-11)9-17-7-6-12-4-2-3-5-13(12)8-17/h2-5,10H,6-9H2,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	5.50E+6	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to immobilized recombinant mouse CD44 hyaluronan binding domain by surface plasmon resonance assay				J Med Chem 57: 2714-25 (2014) Article DOI: 10.1021/jm5000276 BindingDB Entry DOI: 10.7270/Q2MG7R2P
					More data for this Ligand-Target Pair				3D Structure (crystal)

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