BDBM50531922 CHEMBL4471178

SMILES: CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12

InChI Key: InChIKey=REKSFCCYDQMSIN-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50531922   

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))	BDBM50531922 (CHEMBL4471178) Show SMILES CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12 Show InChI InChI=1S/C16H16F3N5/c1-10(2)24-9-23-13-14(21-8-22-15(13)24)20-7-11-4-3-5-12(6-11)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin) after 3 hrs by kinase-glo luminescent assay relative to control				J Med Chem 62: 1989-1998 (2019) Article DOI: 10.1021/acs.jmedchem.8b01541
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50531922 (CHEMBL4471178) Show SMILES CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12 Show InChI InChI=1S/C16H16F3N5/c1-10(2)24-9-23-13-14(21-8-22-15(13)24)20-7-11-4-3-5-12(6-11)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of MAPK8 (unknown origin) using peptide as substrate after 3 hrs by kinase-glo luminescent assay relative to control				J Med Chem 62: 1989-1998 (2019) Article DOI: 10.1021/acs.jmedchem.8b01541
					More data for this Ligand-Target Pair
CDK7/Cyclin H/MNAT1 (Homo sapiens (Human))	BDBM50531922 (CHEMBL4471178) Show SMILES CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12 Show InChI InChI=1S/C16H16F3N5/c1-10(2)24-9-23-13-14(21-8-22-15(13)24)20-7-11-4-3-5-12(6-11)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant full length C-terminal human His-tagged CDK7/cyclin H/N-terminal MAT1 expressed in baculovirus expression system using Cdk7...				J Med Chem 62: 1989-1998 (2019) Article DOI: 10.1021/acs.jmedchem.8b01541
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50531922 (CHEMBL4471178) Show SMILES CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12 Show InChI InChI=1S/C16H16F3N5/c1-10(2)24-9-23-13-14(21-8-22-15(13)24)20-7-11-4-3-5-12(6-11)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant full-length human MAPK1 expressed in Escherichia coli using MBP1 as substrate after 3 hrs by kinase-g...				J Med Chem 62: 1989-1998 (2019) Article DOI: 10.1021/acs.jmedchem.8b01541
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50531922 (CHEMBL4471178) Show SMILES CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12 Show InChI InChI=1S/C16H16F3N5/c1-10(2)24-9-23-13-14(21-8-22-15(13)24)20-7-11-4-3-5-12(6-11)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,22)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal human GST-tagged CK1delta (1 to 294 residues) expressed in Escherichia coli using RKKKAEpSVASLTSQCSYSS peptide a...				J Med Chem 62: 1989-1998 (2019) Article DOI: 10.1021/acs.jmedchem.8b01541
					More data for this Ligand-Target Pair
Casein kinase I isoform alpha (Homo sapiens (Human))	BDBM50531922 (CHEMBL4471178) Show SMILES CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12 Show InChI InChI=1S/C16H16F3N5/c1-10(2)24-9-23-13-14(21-8-22-15(13)24)20-7-11-4-3-5-12(6-11)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant full length human GST-tagged CK1apha expressed in baculovirus using peptide as substrate after 3 hrs by kinase-glo luminesc...				J Med Chem 62: 1989-1998 (2019) Article DOI: 10.1021/acs.jmedchem.8b01541
					More data for this Ligand-Target Pair