BDBM50435229 CHEMBL2392771

SMILES: Cc1nc(nc(NCCNc2cccc(n2)C(F)(F)F)c1Cl)-c1ccccn1

InChI Key: InChIKey=BDLJLGRTYOMPEG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50435229   

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
Methionine Aminopeptidase Type 1 (MetAP1) (Homo sapiens (Human))	BDBM50435229 (CHEMBL2392771) Show SMILES Cc1nc(nc(NCCNc2cccc(n2)C(F)(F)F)c1Cl)-c1ccccn1 Show InChI InChI=1S/C18H16ClF3N6/c1-11-15(19)17(28-16(26-11)12-5-2-3-8-23-12)25-10-9-24-14-7-4-6-13(27-14)18(20,21)22/h2-8H,9-10H2,1H3,(H,24,27)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...				Bioorg Med Chem 21: 2600-17 (2013) Article DOI: 10.1016/j.bmc.2013.02.023 BindingDB Entry DOI: 10.7270/Q290256X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50435229 (CHEMBL2392771) Show SMILES Cc1nc(nc(NCCNc2cccc(n2)C(F)(F)F)c1Cl)-c1ccccn1 Show InChI InChI=1S/C18H16ClF3N6/c1-11-15(19)17(28-16(26-11)12-5-2-3-8-23-12)25-10-9-24-14-7-4-6-13(27-14)18(20,21)22/h2-8H,9-10H2,1H3,(H,24,27)(H,25,26,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...				Bioorg Med Chem 21: 2600-17 (2013) Article DOI: 10.1016/j.bmc.2013.02.023 BindingDB Entry DOI: 10.7270/Q290256X
					More data for this Ligand-Target Pair