BDBM50193085 CHEMBL3925525

SMILES: C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F

InChI Key: InChIKey=UELYDGOOJPRWGF-DUFANNBHSA-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 = 50193085   

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
CDK7/Cyclin H/MNAT1 (Homo sapiens (Human))	BDBM50193085 (CHEMBL3925525) Show SMILES C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11+,29?/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His6-tagged CDK7/cyclin H/N-terminal GST-tagged MAT1 expressed in baculovirus infected Sf21 in...				J Med Chem 59: 8667-8684 (2016) Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50193085 (CHEMBL3925525) Show SMILES C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11+,29?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST/HIS6-tagged CDK1 (1 to 297 residues)/cyclin B1 (1 to 433 residues) expressed in baculovirus infected S...				J Med Chem 59: 8667-8684 (2016) Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50193085 (CHEMBL3925525) Show SMILES C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11+,29?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His6-tagged CDK9/cyclin T1 expressed in baculovirus infected Sf21 insect cells using PDKtide a...				J Med Chem 59: 8667-8684 (2016) Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM50193085 (CHEMBL3925525) Show SMILES C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11+,29?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged CDK4/cyclin D1 expressed in baculovirus infected sf cells				J Med Chem 59: 8667-8684 (2016) Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM50193085 (CHEMBL3925525) Show SMILES C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11+,29?/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length N-terminal GST-tagged CDK2 (1 to 298 residues)/cyclin E1 (1 to 395 residues) expressed in Sf9 insect cell...				J Med Chem 59: 8667-8684 (2016) Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50193085 (CHEMBL3925525) Show SMILES C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11+,29?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged CDK5/N-terminal GST-tagged p25 expressed in baculovirus infected Sf21 insect cells...				J Med Chem 59: 8667-8684 (2016) Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8
					More data for this Ligand-Target Pair