BDBM50367875 CHEMBL607957

SMILES: Nc1nc2ccc(CN(C(=O)CSCC(=O)NC3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1

InChI Key: InChIKey=OYUXOLDYARBLBK-KPJLVZTBSA-N

Data: 1 KI  1 Kd

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 = 50367875   

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
GAR transformylase (Mus musculus)	BDBM50367875 (CHEMBL607957) Show SMILES Nc1nc2ccc(CN(C(=O)CSCC(=O)NC3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C30H35N6O15PS/c31-30-33-18-6-1-14(9-17(18)27(44)35-30)10-36(16-4-2-15(3-5-16)26(43)32-19(29(45)46)7-8-23(39)40)22(38)13-53-12-21(37)34-28-25(42)24(41)20(51-28)11-50-52(47,48)49/h1-6,9,19-20,24-25,28,41-42H,7-8,10-13H2,(H,32,43)(H,34,37)(H,39,40)(H,45,46)(H2,47,48,49)(H3,31,33,35,44)/t19-,20-,24-,25-,28?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Compound was tested for inhibition constant against GAR TFase in mice				J Med Chem 32: 937-40 (1989) BindingDB Entry DOI: 10.7270/Q2RX9CN7
					More data for this Ligand-Target Pair
GAR transformylase (Mus musculus)	BDBM50367875 (CHEMBL607957) Show SMILES Nc1nc2ccc(CN(C(=O)CSCC(=O)NC3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C30H35N6O15PS/c31-30-33-18-6-1-14(9-17(18)27(44)35-30)10-36(16-4-2-15(3-5-16)26(43)32-19(29(45)46)7-8-23(39)40)22(38)13-53-12-21(37)34-28-25(42)24(41)20(51-28)11-50-52(47,48)49/h1-6,9,19-20,24-25,28,41-42H,7-8,10-13H2,(H,32,43)(H,34,37)(H,39,40)(H,45,46)(H2,47,48,49)(H3,31,33,35,44)/t19-,20-,24-,25-,28?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic dissociation constant (KD) was measured upon binding to GAR TFase in mice				J Med Chem 32: 937-40 (1989) BindingDB Entry DOI: 10.7270/Q2RX9CN7
					More data for this Ligand-Target Pair