BDBM50400802 CHEMBL1235529

SMILES: Brc1cnc2Nc3cccc(c3)S(=O)(=O)NCCCNc1n2

InChI Key: InChIKey=AWSQADBSXFTFKL-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 50400802   

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
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50400802 (CHEMBL1235529) Show SMILES Brc1cnc2Nc3cccc(c3)S(=O)(=O)NCCCNc1n2 Show InChI InChI=1S/C13H14BrN5O2S/c14-11-8-16-13-18-9-3-1-4-10(7-9)22(20,21)17-6-2-5-15-12(11)19-13/h1,3-4,7-8,17H,2,5-6H2,(H2,15,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universite£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of CDK1				J Med Chem 54: 1961-2004 (2011) Article DOI: 10.1021/jm1012374 BindingDB Entry DOI: 10.7270/Q28C9XDV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50400802 (CHEMBL1235529) Show SMILES Brc1cnc2Nc3cccc(c3)S(=O)(=O)NCCCNc1n2 Show InChI InChI=1S/C13H14BrN5O2S/c14-11-8-16-13-18-9-3-1-4-10(7-9)22(20,21)17-6-2-5-15-12(11)19-13/h1,3-4,7-8,17H,2,5-6H2,(H2,15,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universite£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of VEGFR2				J Med Chem 54: 1961-2004 (2011) Article DOI: 10.1021/jm1012374 BindingDB Entry DOI: 10.7270/Q28C9XDV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50400802 (CHEMBL1235529) Show SMILES Brc1cnc2Nc3cccc(c3)S(=O)(=O)NCCCNc1n2 Show InChI InChI=1S/C13H14BrN5O2S/c14-11-8-16-13-18-9-3-1-4-10(7-9)22(20,21)17-6-2-5-15-12(11)19-13/h1,3-4,7-8,17H,2,5-6H2,(H2,15,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Eur J Med Chem 164: 615-639 (2019)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50400802 (CHEMBL1235529) Show SMILES Brc1cnc2Nc3cccc(c3)S(=O)(=O)NCCCNc1n2 Show InChI InChI=1S/C13H14BrN5O2S/c14-11-8-16-13-18-9-3-1-4-10(7-9)22(20,21)17-6-2-5-15-12(11)19-13/h1,3-4,7-8,17H,2,5-6H2,(H2,15,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Eur J Med Chem 164: 615-639 (2019)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50400802 (CHEMBL1235529) Show SMILES Brc1cnc2Nc3cccc(c3)S(=O)(=O)NCCCNc1n2 Show InChI InChI=1S/C13H14BrN5O2S/c14-11-8-16-13-18-9-3-1-4-10(7-9)22(20,21)17-6-2-5-15-12(11)19-13/h1,3-4,7-8,17H,2,5-6H2,(H2,15,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 164: 615-639 (2019)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50400802 (CHEMBL1235529) Show SMILES Brc1cnc2Nc3cccc(c3)S(=O)(=O)NCCCNc1n2 Show InChI InChI=1S/C13H14BrN5O2S/c14-11-8-16-13-18-9-3-1-4-10(7-9)22(20,21)17-6-2-5-15-12(11)19-13/h1,3-4,7-8,17H,2,5-6H2,(H2,15,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universite£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of CDK2				J Med Chem 54: 1961-2004 (2011) Article DOI: 10.1021/jm1012374 BindingDB Entry DOI: 10.7270/Q28C9XDV
					More data for this Ligand-Target Pair				3D Structure (crystal)