BDBM50378822 CHEMBL1241662

SMILES: Nc1nc2ccc(cc2n1Cc1c(F)cccc1F)C(=O)c1c(F)cccc1Cl

InChI Key: InChIKey=APWGKQAYROBBCL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50378822   

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 1 (Homo sapiens (Human))	BDBM50378822 (CHEMBL1241662) Show SMILES Nc1nc2ccc(cc2n1Cc1c(F)cccc1F)C(=O)c1c(F)cccc1Cl Show InChI InChI=1S/C21H13ClF3N3O/c22-13-3-1-6-16(25)19(13)20(29)11-7-8-17-18(9-11)28(21(26)27-17)10-12-14(23)4-2-5-15(12)24/h1-9H,10H2,(H2,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Inhibition of CDK1				AAPS J 8: 204-21 (2006) Article DOI: 10.1208/aapsj080125 BindingDB Entry DOI: 10.7270/Q2TX3GBS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50378822 (CHEMBL1241662) Show SMILES Nc1nc2ccc(cc2n1Cc1c(F)cccc1F)C(=O)c1c(F)cccc1Cl Show InChI InChI=1S/C21H13ClF3N3O/c22-13-3-1-6-16(25)19(13)20(29)11-7-8-17-18(9-11)28(21(26)27-17)10-12-14(23)4-2-5-15(12)24/h1-9H,10H2,(H2,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Inhibition of CDK4				AAPS J 8: 204-21 (2006) Article DOI: 10.1208/aapsj080125 BindingDB Entry DOI: 10.7270/Q2TX3GBS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50378822 (CHEMBL1241662) Show SMILES Nc1nc2ccc(cc2n1Cc1c(F)cccc1F)C(=O)c1c(F)cccc1Cl Show InChI InChI=1S/C21H13ClF3N3O/c22-13-3-1-6-16(25)19(13)20(29)11-7-8-17-18(9-11)28(21(26)27-17)10-12-14(23)4-2-5-15(12)24/h1-9H,10H2,(H2,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Inhibition of CDK2				AAPS J 8: 204-21 (2006) Article DOI: 10.1208/aapsj080125 BindingDB Entry DOI: 10.7270/Q2TX3GBS
					More data for this Ligand-Target Pair