Affinity Data by PDB ID

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PDB code 4MRH

Identical Ligands in BindingDB

Found 2 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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
CD44 antigen (149/149 = 100%)^† (Mus musculus)	BDBM50008915 (CHEMBL3237625) Show SMILES Cc1cc(N)c(N)cc1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	1.26E+7	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
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
CD44 antigen (131/149 = 88%)^† (Homo sapiens (Human))	BDBM50008915 (CHEMBL3237625) Show SMILES Cc1cc(N)c(N)cc1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	5.40E+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
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output