BDBM50433377 CHEMBL2375628

SMILES: Cc1nc(nc(NCCNc2ccc(cn2)C(F)(F)F)c1Cl)-c1ccccn1

InChI Key: InChIKey=RKRMHCLBTVBYAU-UHFFFAOYSA-N

Data: 2 IC50  3 EC50

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 5 hits for monomerid = 50433377   

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))	BDBM50433377 (CHEMBL2375628) Show SMILES Cc1nc(nc(NCCNc2ccc(cn2)C(F)(F)F)c1Cl)-c1ccccn1 Show InChI InChI=1S/C18H16ClF3N6/c1-11-15(19)17(28-16(27-11)13-4-2-3-7-23-13)25-9-8-24-14-6-5-12(10-26-14)18(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,26)(H,25,27,28)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human methionine aminopeptidase 1 in presence of Co2+				J Med Chem 56: 3996-4016 (2013) Article DOI: 10.1021/jm400227z BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methionine Aminopeptidase Type 1 (MetAP1) (Homo sapiens (Human))	BDBM50433377 (CHEMBL2375628) Show SMILES Cc1nc(nc(NCCNc2ccc(cn2)C(F)(F)F)c1Cl)-c1ccccn1 Show InChI InChI=1S/C18H16ClF3N6/c1-11-15(19)17(28-16(27-11)13-4-2-3-7-23-13)25-9-8-24-14-6-5-12(10-26-14)18(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,26)(H,25,27,28)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human methionine aminopeptidase 1 in presence of Zn2+				J Med Chem 56: 3996-4016 (2013) Article DOI: 10.1021/jm400227z BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methionine Aminopeptidase Type 1 (MetAP1) (Homo sapiens (Human))	BDBM50433377 (CHEMBL2375628) Show SMILES Cc1nc(nc(NCCNc2ccc(cn2)C(F)(F)F)c1Cl)-c1ccccn1 Show InChI InChI=1S/C18H16ClF3N6/c1-11-15(19)17(28-16(27-11)13-4-2-3-7-23-13)25-9-8-24-14-6-5-12(10-26-14)18(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,26)(H,25,27,28)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.00E+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))	BDBM50433377 (CHEMBL2375628) Show SMILES Cc1nc(nc(NCCNc2ccc(cn2)C(F)(F)F)c1Cl)-c1ccccn1 Show InChI InChI=1S/C18H16ClF3N6/c1-11-15(19)17(28-16(27-11)13-4-2-3-7-23-13)25-9-8-24-14-6-5-12(10-26-14)18(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,26)(H,25,27,28)	KEGG DrugBank GoogleScholar AffyNet	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
Methionine Aminopeptidase Type 1 (MetAP1) (Homo sapiens (Human))	BDBM50433377 (CHEMBL2375628) Show SMILES Cc1nc(nc(NCCNc2ccc(cn2)C(F)(F)F)c1Cl)-c1ccccn1 Show InChI InChI=1S/C18H16ClF3N6/c1-11-15(19)17(28-16(27-11)13-4-2-3-7-23-13)25-9-8-24-14-6-5-12(10-26-14)18(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,26)(H,25,27,28)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human methionine aminopeptidase 1 in presence of Mn2+				J Med Chem 56: 3996-4016 (2013) Article DOI: 10.1021/jm400227z BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
					More data for this Ligand-Target Pair				3D Structure (crystal)