BDBM50008913 CHEMBL3183504

SMILES: Cc1cccc(N)c1N

InChI Key: InChIKey=AXNUJYHFQHQZBE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50008913   

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
CD44 antigen (Mus musculus)	BDBM50008913 (CHEMBL3183504) Show SMILES Cc1cccc(N)c1N Show InChI InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	6.40E+6	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to immobilized recombinant mouse CD44 hyaluronan binding domain by surface plasmon resonance assay				J Med Chem 57: 2714-25 (2014)
					More data for this Ligand-Target Pair				3D Structure (crystal)
CD44 antigen (Homo sapiens)	BDBM50008913 (CHEMBL3183504) Show SMILES Cc1cccc(N)c1N Show InChI InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	8.50E+6	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay				J Med Chem 57: 2714-25 (2014)
					More data for this Ligand-Target Pair				3D Structure (crystal)