Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 534.6 BDBM444496

Wt: 534.6 BDBM444542

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 24 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444542 (US10662186, Compound 62 | US10988476, Compound I-6...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r| Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.44	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444542 (US10662186, Compound 62 | US10988476, Compound I-6...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r| Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.44	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM444542 (US10662186, Compound 62 | US10988476, Compound I-6...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r| Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.44	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM444542 (US10662186, Compound 62 | US10988476, Compound I-6...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r| Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.44	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444496 (US10662186, Compound 25 | US10988476, Compound I-2...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.08	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444496 (US10662186, Compound 25 | US10988476, Compound I-2...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.08	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444542 (US10662186, Compound 62 | US10988476, Compound I-6...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r| Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.51	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444542 (US10662186, Compound 62 | US10988476, Compound I-6...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r| Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.51	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444496 (US10662186, Compound 25 | US10988476, Compound I-2...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.78	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444496 (US10662186, Compound 25 | US10988476, Compound I-2...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.78	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM444496 (US10662186, Compound 25 | US10988476, Compound I-2...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.5	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM444496 (US10662186, Compound 25 | US10988476, Compound I-2...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.5	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM444542 (US10662186, Compound 62 | US10988476, Compound I-6...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r| Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28.3	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM444542 (US10662186, Compound 62 | US10988476, Compound I-6...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r| Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28.3	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM444496 (US10662186, Compound 25 | US10988476, Compound I-2...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	57.9	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM444496 (US10662186, Compound 25 | US10988476, Compound I-2...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	57.9	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM444542 (US10662186, Compound 62 | US10988476, Compound I-6...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r| Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM444542 (US10662186, Compound 62 | US10988476, Compound I-6...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r| Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM444496 (US10662186, Compound 25 | US10988476, Compound I-2...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	86.7	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM444496 (US10662186, Compound 25 | US10988476, Compound I-2...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	86.7	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM444496 (US10662186, Compound 25 | US10988476, Compound I-2...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	978	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM444496 (US10662186, Compound 25 | US10988476, Compound I-2...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	978	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM444542 (US10662186, Compound 62 | US10988476, Compound I-6...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r| Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM444542 (US10662186, Compound 62 | US10988476, Compound I-6...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r| Show InChI InChI=1S/C28H32F2N8O/c1-15(2)38-17(4)32-26-20(29)11-19(12-23(26)38)25-21(30)13-31-28(35-25)34-24-8-7-18-14-37(10-9-22(18)33-24)27(39)16(3)36(5)6/h7-8,11-13,15-16H,9-10,14H2,1-6H3,(H,31,33,34,35)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair