Compile Data Set for Download or QSAR

Found 367 hits with Last Name = 'smith' and Initial = 'mr'   

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))	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	7.0	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexA using MUGS substrate incubated for 1 to 2 hrs at pH 7.0 by spectrofluorometry				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit beta (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	7.0	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexB using MUGS substrate incubated for 1 to 2 hrs at pH 7.0 by spectrofluorometry				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50188071 (CHEMBL213805 | biphenyl-4-carboxylic acid [2-(1H-i...) Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H22N2O/c1-26(16-15-21-17-25-23-10-6-5-9-22(21)23)24(27)20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-14,17,25H,15-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50567202 (CHEMBL4879338) Show SMILES COc1ccc(\C=N\NC(=O)c2cc([nH]n2)-c2ccc3ccccc3c2)cc1OC Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length GST-tagged human SPHK1 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Alex...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128329 BindingDB Entry DOI: 10.7270/Q2639TG4
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	4.5	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of HexA alpha G269S mutant in ATSD patient fibroblasts using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometry				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	4.5	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexA using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometry				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50273105 ((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(4'-me...) Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C25H22N2O/c1-17-6-8-18(9-7-17)19-10-12-20(13-11-19)25(28)27-15-14-22-21-4-2-3-5-23(21)26-24(22)16-27/h2-13,26H,14-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit beta (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	4.5	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexB using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometry				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50272870 (CHEMBL498710 | N-(2-(1H-Indol-3-yl)ethyl)-4'-tert-...) Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C27H28N2O/c1-27(2,3)23-14-12-20(13-15-23)19-8-10-21(11-9-19)26(30)28-17-16-22-18-29-25-7-5-4-6-24(22)25/h4-15,18,29H,16-17H2,1-3H3,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50567212 (CHEMBL4877610) Show SMILES O=C(N\N=C\c1cccc2ccccc12)c1cc([nH]n1)-c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length GST-tagged human SPHK1 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Alex...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128329 BindingDB Entry DOI: 10.7270/Q2639TG4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50567213 (CHEMBL4870518) Show SMILES O=C(N\N=C\c1ccccc1)c1cc([nH]n1)-c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length GST-tagged human SPHK1 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Alex...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128329 BindingDB Entry DOI: 10.7270/Q2639TG4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50567214 (CHEMBL4871012) Show SMILES O=C(N\N=C\c1cccnc1)c1cc([nH]n1)-c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length GST-tagged human SPHK1 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Alex...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128329 BindingDB Entry DOI: 10.7270/Q2639TG4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50567215 (CHEMBL4851938) Show SMILES Clc1ccc(\C=N\NC(=O)c2cc([nH]n2)-c2ccc3ccccc3c2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length GST-tagged human SPHK1 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Alex...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128329 BindingDB Entry DOI: 10.7270/Q2639TG4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50567216 (CHEMBL4866324) Show SMILES [O-][N+](=O)c1cccc(\C=N\NC(=O)c2cc([nH]n2)-c2ccc3ccccc3c2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length GST-tagged human SPHK1 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Alex...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128329 BindingDB Entry DOI: 10.7270/Q2639TG4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50331854 (CHEMBL1241832 | N'-((2-hydroxynaphthalen-1-yl)meth...) Show SMILES Oc1ccc2ccccc2c1C=NNC(=O)c1cc(n[nH]1)-c1ccc2ccccc2c1 |w:12.14| Show InChI InChI=1S/C25H18N4O2/c30-24-12-11-17-6-3-4-8-20(17)21(24)15-26-29-25(31)23-14-22(27-28-23)19-10-9-16-5-1-2-7-18(16)13-19/h1-15,30H,(H,27,28)(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length GST-tagged human SPHK1 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Alex...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128329 BindingDB Entry DOI: 10.7270/Q2639TG4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50567203 (CHEMBL4877410) Show SMILES O=C(N\N=C\c1ccc2OCCOc2c1)c1cc([nH]n1)-c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length GST-tagged human SPHK1 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Alex...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128329 BindingDB Entry DOI: 10.7270/Q2639TG4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50567204 (CHEMBL4869467) Show SMILES COc1ccc(\C=N\NC(=O)c2cc([nH]n2)-c2ccc3ccccc3c2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length GST-tagged human SPHK1 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Alex...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128329 BindingDB Entry DOI: 10.7270/Q2639TG4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50567205 (CHEMBL4858010) Show SMILES COc1ccccc1\C=N\NC(=O)c1cc([nH]n1)-c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length GST-tagged human SPHK1 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Alex...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128329 BindingDB Entry DOI: 10.7270/Q2639TG4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50567206 (CHEMBL4849293) Show SMILES COc1cccc(\C=N\NC(=O)c2cc([nH]n2)-c2ccc3ccccc3c2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length GST-tagged human SPHK1 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Alex...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128329 BindingDB Entry DOI: 10.7270/Q2639TG4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50567207 (CHEMBL4869938) Show SMILES COc1ccc2ccccc2c1\C=N\NC(=O)c1cc([nH]n1)-c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length GST-tagged human SPHK1 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Alex...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128329 BindingDB Entry DOI: 10.7270/Q2639TG4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50567208 (CHEMBL1290096) Show SMILES Oc1ccc(\C=N\NC(=O)c2cc(n[nH]2)-c2ccc3ccccc3c2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length GST-tagged human SPHK1 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Alex...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128329 BindingDB Entry DOI: 10.7270/Q2639TG4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50567209 (CHEMBL1289885) Show SMILES Oc1cccc(\C=N\NC(=O)c2cc(n[nH]2)-c2ccc3ccccc3c2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length GST-tagged human SPHK1 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Alex...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128329 BindingDB Entry DOI: 10.7270/Q2639TG4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50567210 (CHEMBL1289998) Show SMILES Oc1ccccc1\C=N\NC(=O)c1cc(n[nH]1)-c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length GST-tagged human SPHK1 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Alex...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128329 BindingDB Entry DOI: 10.7270/Q2639TG4
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50567211 (CHEMBL4846418) Show SMILES O=C(N\N=C\C1CCCCC1)c1cc([nH]n1)-c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length GST-tagged human SPHK1 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Alex...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128329 BindingDB Entry DOI: 10.7270/Q2639TG4
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM18788 (6-ethyl-5-phenylpyrimidine-2,4-diamine | CHEMBL221...) Show SMILES CCc1nc(N)nc(N)c1-c1ccccc1 Show InChI InChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	7.0	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexA using MUGS substrate incubated for 1 to 2 hrs at pH 7.0 by spectrofluorometry				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50273041 ((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(3'-me...) Show SMILES Cc1cccc(c1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C25H22N2O/c1-17-6-4-7-18(14-17)19-8-5-9-20(15-19)25(28)27-13-12-22-21-10-2-3-11-23(21)26-24(22)16-27/h2-11,14-15,26H,12-13,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50272800 (CHEMBL498521 | N-(2-(1H-Indol-3-yl)ethyl)-4'-tert-...) Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C28H30N2O/c1-28(2,3)24-15-13-21(14-16-24)20-9-11-22(12-10-20)27(31)30(4)18-17-23-19-29-26-8-6-5-7-25(23)26/h5-16,19,29H,17-18H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50273074 ((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(4'-fl...) Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C24H19FN2O/c25-19-11-9-17(10-12-19)16-5-7-18(8-6-16)24(28)27-14-13-21-20-3-1-2-4-22(20)26-23(21)15-27/h1-12,26H,13-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	4.5	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of HexA in normal human fibroblasts using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometry				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50272919 (CHEMBL456121 | N-(2-(1H-Indol-3-yl)ethyl)-3'-methy...) Show SMILES Cc1cccc(c1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C24H22N2O/c1-17-7-6-8-18(15-17)20-9-2-3-11-22(20)24(27)25-14-13-19-16-26-23-12-5-4-10-21(19)23/h2-12,15-16,26H,13-14H2,1H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50272837 (CHEMBL496481 | N-(2-(1H-Indol-3-yl)ethyl)-4'-fluor...) Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C23H19FN2O/c24-20-11-9-17(10-12-20)16-5-7-18(8-6-16)23(27)25-14-13-19-15-26-22-4-2-1-3-21(19)22/h1-12,15,26H,13-14H2,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha/beta (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of beta-N-acetylhexosaminidase (unknown origin)				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit beta (Homo sapiens (Human))	BDBM18788 (6-ethyl-5-phenylpyrimidine-2,4-diamine | CHEMBL221...) Show SMILES CCc1nc(N)nc(N)c1-c1ccccc1 Show InChI InChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	7.0	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexB using MUGS substrate incubated for 1 to 2 hrs at pH 7.0 by spectrofluorometry				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM50089680 (CHEMBL3577321) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C13H13F3N4/c1-2-9-10(11(17)20-12(18)19-9)7-3-5-8(6-4-7)13(14,15)16/h3-6H,2H2,1H3,(H4,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexA using pNPGlcNAc substrate				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50272836 (CHEMBL521733 | N-(2-(1H-Indol-3-yl)ethyl)biphenyl-...) Show SMILES O=C(NCCc1c[nH]c2ccccc12)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H20N2O/c26-23(19-12-10-18(11-13-19)17-6-2-1-3-7-17)24-15-14-20-16-25-22-9-5-4-8-21(20)22/h1-13,16,25H,14-15H2,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50273076 ((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(2'-fl...) Show SMILES Fc1ccccc1-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C24H19FN2O/c25-21-7-3-1-5-18(21)16-9-11-17(12-10-16)24(28)27-14-13-20-19-6-2-4-8-22(19)26-23(20)15-27/h1-12,26H,13-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexA using pNPGlcNAc substrate				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50272838 (CHEMBL496482 | N-(2-(1H-Indol-3-yl)ethyl)-4'-methy...) Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C24H22N2O/c1-17-6-8-18(9-7-17)19-10-12-20(13-11-19)24(27)25-15-14-21-16-26-23-5-3-2-4-22(21)23/h2-13,16,26H,14-15H2,1H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM50089676 (CHEMBL3577317) Show SMILES CCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C13H15ClN4/c1-2-3-10-11(12(15)18-13(16)17-10)8-4-6-9(14)7-5-8/h4-7H,2-3H2,1H3,(H4,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexA using pNPGlcNAc substrate				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50273039 ((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(2'-fl...) Show SMILES Fc1ccccc1-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C24H19FN2O/c25-21-10-3-1-8-18(21)16-6-5-7-17(14-16)24(28)27-13-12-20-19-9-2-4-11-22(19)26-23(20)15-27/h1-11,14,26H,12-13,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Homo sapiens (Human))	BDBM18780 (6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine ...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(OC)cc1 Show InChI InChI=1S/C13H16N4O/c1-3-10-11(12(14)17-13(15)16-10)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H4,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. Curated by ChEMBL					Assay Description Inhibition of human placental HexA using pNPGlcNAc substrate				J Med Chem 58: 4483-93 (2015) Article DOI: 10.1021/jm5017895 BindingDB Entry DOI: 10.7270/Q28054CK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50272997 ((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(2'-fl...) Show SMILES Fc1ccccc1-c1ccccc1C(=O)N1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C24H19FN2O/c25-21-11-5-3-8-17(21)16-7-1-2-10-20(16)24(28)27-14-13-19-18-9-4-6-12-22(18)26-23(19)15-27/h1-12,26H,13-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50272918 (CHEMBL456964 | N-(2-(1H-Indol-3-yl)ethyl)-3'-fluor...) Show SMILES Fc1cccc(c1)-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C23H19FN2O/c24-18-7-5-6-16(14-18)19-8-1-2-10-21(19)23(27)25-13-12-17-15-26-22-11-4-3-9-20(17)22/h1-11,14-15,26H,12-13H2,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50272798 (CHEMBL498520 | N-(2-(1H-Indol-3-yl)ethyl)-4'-fluor...) Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H21FN2O/c1-27(15-14-20-16-26-23-5-3-2-4-22(20)23)24(28)19-8-6-17(7-9-19)18-10-12-21(25)13-11-18/h2-13,16,26H,14-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50273075 ((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(3'-fl...) Show SMILES Fc1cccc(c1)-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C24H19FN2O/c25-19-5-3-4-18(14-19)16-8-10-17(11-9-16)24(28)27-13-12-21-20-6-1-2-7-22(20)26-23(21)15-27/h1-11,14,26H,12-13,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50273109 ((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(2'-me...) Show SMILES COc1ccccc1-c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C25H22N2O2/c1-29-24-9-5-3-6-19(24)17-10-12-18(13-11-17)25(28)27-15-14-21-20-7-2-4-8-22(20)26-23(21)16-27/h2-13,26H,14-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50272995 ((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(4'-fl...) Show SMILES Fc1ccc(cc1)-c1ccccc1C(=O)N1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C24H19FN2O/c25-17-11-9-16(10-12-17)18-5-1-2-7-21(18)24(28)27-14-13-20-19-6-3-4-8-22(19)26-23(20)15-27/h1-12,26H,13-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50272799 (CHEMBL525921 | N-(2-(1H-Indol-3-yl)ethyl)-N,4'-dim...) Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccc(C)cc1 Show InChI InChI=1S/C25H24N2O/c1-18-7-9-19(10-8-18)20-11-13-21(14-12-20)25(28)27(2)16-15-22-17-26-24-6-4-3-5-23(22)24/h3-14,17,26H,15-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50273040 ((3,4-Dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)(4'-me...) Show SMILES Cc1ccc(cc1)-c1cccc(c1)C(=O)N1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C25H22N2O/c1-17-9-11-18(12-10-17)19-5-4-6-20(15-19)25(28)27-14-13-22-21-7-2-3-8-23(21)26-24(22)16-27/h2-12,15,26H,13-14,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair

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