Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'ainscow' and Initial = 'e'   

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 7 (Homo sapiens (Human))	BDBM642790 (US11857552, Compound APPAMP-004) Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)c(Cl)c(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM642790 (US11857552, Compound APPAMP-004) Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)c(Cl)c(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM642790 (US11857552, Compound APPAMP-004) Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)c(Cl)c(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM642789 (US11857552, Compound APPAMP-003) Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM642789 (US11857552, Compound APPAMP-003) Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM642789 (US11857552, Compound APPAMP-003) Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM642787 (US11857552, Compound APPAMP-001) Show SMILES CCc1cnn2c(NCc3ccccc3F)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM642787 (US11857552, Compound APPAMP-001) Show SMILES CCc1cnn2c(NCc3ccccc3F)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM642787 (US11857552, Compound APPAMP-001) Show SMILES CCc1cnn2c(NCc3ccccc3F)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM642789 (US11857552, Compound APPAMP-003) Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM642788 (US11857552, Compound APPAMP-002) Show SMILES O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccccc2)n2ncc(C3CC3)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM642788 (US11857552, Compound APPAMP-002) Show SMILES O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccccc2)n2ncc(C3CC3)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM642788 (US11857552, Compound APPAMP-002) Show SMILES O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccccc2)n2ncc(C3CC3)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526797 (Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526797 (Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50526797 (Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM642790 (US11857552, Compound APPAMP-004) Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)c(Cl)c(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM642789 (US11857552, Compound APPAMP-003) Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM642789 (US11857552, Compound APPAMP-003) Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM642787 (US11857552, Compound APPAMP-001) Show SMILES CCc1cnn2c(NCc3ccccc3F)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM642788 (US11857552, Compound APPAMP-002) Show SMILES O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccccc2)n2ncc(C3CC3)c2n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50526797 (Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM642787 (US11857552, Compound APPAMP-001) Show SMILES CCc1cnn2c(NCc3ccccc3F)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM642787 (US11857552, Compound APPAMP-001) Show SMILES CCc1cnn2c(NCc3ccccc3F)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50526797 (Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50526797 (Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM642788 (US11857552, Compound APPAMP-002) Show SMILES O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccccc2)n2ncc(C3CC3)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM642788 (US11857552, Compound APPAMP-002) Show SMILES O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccccc2)n2ncc(C3CC3)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM642790 (US11857552, Compound APPAMP-004) Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)c(Cl)c(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM642790 (US11857552, Compound APPAMP-004) Show SMILES CCc1cnn2c(NCc3cccc(c3)C#N)c(Cl)c(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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