BDBM370187 US10233188, Example 74::US10800783, Example 74

SMILES: C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(=O)(=O)C3CC3)ncc2ccc1=O

InChI Key: InChIKey=BAOXEYLXBCETRN-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 = 370187   

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
CDK2/CycE (Homo sapiens (Human))	BDBM370187 (US10233188, Example 74 | US10800783, Example 74) Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(=O)(=O)C3CC3)ncc2ccc1=O |r| Show InChI InChI=1S/C21H29N5O4S/c1-21(28)10-2-3-17(21)26-18(27)7-4-14-13-22-20(24-19(14)26)23-15-8-11-25(12-9-15)31(29,30)16-5-6-16/h4,7,13,15-17,28H,2-3,5-6,8-12H2,1H3,(H,22,23,24)/t17-,21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	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
CDK2/CycE (Homo sapiens (Human))	BDBM370187 (US10233188, Example 74 | US10800783, Example 74) Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(=O)(=O)C3CC3)ncc2ccc1=O |r| Show InChI InChI=1S/C21H29N5O4S/c1-21(28)10-2-3-17(21)26-18(27)7-4-14-13-22-20(24-19(14)26)23-15-8-11-25(12-9-15)31(29,30)16-5-6-16/h4,7,13,15-17,28H,2-3,5-6,8-12H2,1H3,(H,22,23,24)/t17-,21-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	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
CDK6/Cyclin D1 (Homo sapiens (Human)-Mus musculus (mouse))	BDBM370187 (US10233188, Example 74 | US10800783, Example 74) Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(=O)(=O)C3CC3)ncc2ccc1=O |r| Show InChI InChI=1S/C21H29N5O4S/c1-21(28)10-2-3-17(21)26-18(27)7-4-14-13-22-20(24-19(14)26)23-15-8-11-25(12-9-15)31(29,30)16-5-6-16/h4,7,13,15-17,28H,2-3,5-6,8-12H2,1H3,(H,22,23,24)/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	1.01	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
CDK6/Cyclin D1 (Homo sapiens (Human)-Mus musculus (mouse))	BDBM370187 (US10233188, Example 74 | US10800783, Example 74) Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(=O)(=O)C3CC3)ncc2ccc1=O |r| Show InChI InChI=1S/C21H29N5O4S/c1-21(28)10-2-3-17(21)26-18(27)7-4-14-13-22-20(24-19(14)26)23-15-8-11-25(12-9-15)31(29,30)16-5-6-16/h4,7,13,15-17,28H,2-3,5-6,8-12H2,1H3,(H,22,23,24)/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	1.01	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