BDBM370217 US10233188, Example 104::US10800783, Example 104

SMILES: Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)NCC(C)(F)F)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O

InChI Key: InChIKey=QROLGGZKPDXPRM-DYESRHJHSA-N

Data: 4 KI

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 4 hits for monomerid = 370217   

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/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM370217 (US10233188, Example 104 | US10800783, Example 104) Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)NCC(C)(F)F)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r| Show InChI InChI=1S/C22H32F2N6O4S/c1-14-11-15-12-25-20(28-18(15)30(19(14)31)17-5-4-8-21(17,2)32)27-16-6-9-29(10-7-16)35(33,34)26-13-22(3,23)24/h11-12,16-17,26,32H,4-10,13H2,1-3H3,(H,25,27,28)/t17-,21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10800783 (2020)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM370217 (US10233188, Example 104 | US10800783, Example 104) Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)NCC(C)(F)F)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r| Show InChI InChI=1S/C22H32F2N6O4S/c1-14-11-15-12-25-20(28-18(15)30(19(14)31)17-5-4-8-21(17,2)32)27-16-6-9-29(10-7-16)35(33,34)26-13-22(3,23)24/h11-12,16-17,26,32H,4-10,13H2,1-3H3,(H,25,27,28)/t17-,21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				J Med Chem 45: 1477-86 (2002) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 (Homo sapiens (Human)-Mus musculus (mouse))	BDBM370217 (US10233188, Example 104 | US10800783, Example 104) Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)NCC(C)(F)F)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r| Show InChI InChI=1S/C22H32F2N6O4S/c1-14-11-15-12-25-20(28-18(15)30(19(14)31)17-5-4-8-21(17,2)32)27-16-6-9-29(10-7-16)35(33,34)26-13-22(3,23)24/h11-12,16-17,26,32H,4-10,13H2,1-3H3,(H,25,27,28)/t17-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...				US Patent US10800783 (2020)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 (Homo sapiens (Human)-Mus musculus (mouse))	BDBM370217 (US10233188, Example 104 | US10800783, Example 104) Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)NCC(C)(F)F)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r| Show InChI InChI=1S/C22H32F2N6O4S/c1-14-11-15-12-25-20(28-18(15)30(19(14)31)17-5-4-8-21(17,2)32)27-16-6-9-29(10-7-16)35(33,34)26-13-22(3,23)24/h11-12,16-17,26,32H,4-10,13H2,1-3H3,(H,25,27,28)/t17-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...				J Med Chem 45: 1477-86 (2002) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair