BDBM50008917 CHEMBL3237627

SMILES: Cc1nc[nH]c1CN1CCc2cccc(N)c2C1

InChI Key: InChIKey=IMWCZDDKZOUUNI-UHFFFAOYSA-N

Data: 1 IC50  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 3 hits for monomerid = 50008917   

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 (Homo sapiens (Human))	BDBM50008917 (CHEMBL3237627) Show SMILES Cc1nc[nH]c1CN1CCc2cccc(N)c2C1 Show InChI InChI=1S/C14H18N4/c1-10-14(17-9-16-10)8-18-6-5-11-3-2-4-13(15)12(11)7-18/h2-4,9H,5-8,15H2,1H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	4.00E+5	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 (Homo sapiens (Human))	BDBM50008917 (CHEMBL3237627) Show SMILES Cc1nc[nH]c1CN1CCc2cccc(N)c2C1 Show InChI InChI=1S/C14H18N4/c1-10-14(17-9-16-10)8-18-6-5-11-3-2-4-13(15)12(11)7-18/h2-4,9H,5-8,15H2,1H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.50E+6	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 (Mus musculus)	BDBM50008917 (CHEMBL3237627) Show SMILES Cc1nc[nH]c1CN1CCc2cccc(N)c2C1 Show InChI InChI=1S/C14H18N4/c1-10-14(17-9-16-10)8-18-6-5-11-3-2-4-13(15)12(11)7-18/h2-4,9H,5-8,15H2,1H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	5.00E+5	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)