BDBM50186417 4-(4-(5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-ylamino)phenylsulfonamido)-4-oxobutanoic acid::CHEMBL209280

SMILES: Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC(=O)CCC(O)=O)nn1C(=O)c1c(F)cccc1F

InChI Key: InChIKey=KGHKTEALHPGTKH-UHFFFAOYSA-N

Data: 2 IC50

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 = 50186417   

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 2 (Homo sapiens (Human))	BDBM50186417 (4-(4-(5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-tri...) Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC(=O)CCC(O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C19H16F2N6O6S/c20-12-2-1-3-13(21)16(12)17(31)27-18(22)24-19(25-27)23-10-4-6-11(7-5-10)34(32,33)26-14(28)8-9-15(29)30/h1-7H,8-9H2,(H,26,28)(H,29,30)(H3,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development LLC Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 16: 3639-41 (2006) Article DOI: 10.1016/j.bmcl.2006.04.071 BindingDB Entry DOI: 10.7270/Q2CN73H6
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50186417 (4-(4-(5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-tri...) Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC(=O)CCC(O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C19H16F2N6O6S/c20-12-2-1-3-13(21)16(12)17(31)27-18(22)24-19(25-27)23-10-4-6-11(7-5-10)34(32,33)26-14(28)8-9-15(29)30/h1-7H,8-9H2,(H,26,28)(H,29,30)(H3,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	494	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development LLC Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 16: 3639-41 (2006) Article DOI: 10.1016/j.bmcl.2006.04.071 BindingDB Entry DOI: 10.7270/Q2CN73H6
					More data for this Ligand-Target Pair