BDBM50456066 CHEMBL4209336

SMILES: C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1cccc(OCC(O)=O)c1

InChI Key: InChIKey=ZXUBFAMLQIJLAG-ZDUSSCGKSA-N

Data: 2 KI

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 = 50456066   

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
Inosine-5'-monophosphate dehydrogenase (IMPDH) (Homo sapiens (Human))	BDBM50456066 (CHEMBL4209336) Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1cccc(OCC(O)=O)c1 |r| Show InChI InChI=1S/C24H18Cl2N2O6/c1-13(33-20-7-3-6-17(25)22(20)26)23(31)27-15-8-9-19-18(11-15)28-24(34-19)14-4-2-5-16(10-14)32-12-21(29)30/h2-11,13H,12H2,1H3,(H,27,31)(H,29,30)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
GMP reductase 2 (Homo sapiens)	BDBM50456066 (CHEMBL4209336) Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1cccc(OCC(O)=O)c1 |r| Show InChI InChI=1S/C24H18Cl2N2O6/c1-13(33-20-7-3-6-17(25)22(20)26)23(31)27-15-8-9-19-18(11-15)28-24(34-19)14-4-2-5-16(10-14)32-12-21(29)30/h2-11,13H,12H2,1H3,(H,27,31)(H,29,30)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair