Compile Data Set for Download or QSAR

Found 290 hits with Last Name = 'bretz' and Initial = 'a'   

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))	BDBM50267899 ((4Z)-6-(3-Furyl)-4-{[(3-hydroxy-4-methoxybenzyl)am...) Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1O |w:8.7| Show InChI InChI=1S/C22H18N2O5/c1-28-20-5-2-13(8-19(20)25)10-23-11-18-17-9-14(15-6-7-29-12-15)3-4-16(17)21(26)24-22(18)27/h2-9,11-12,23,25H,10H2,1H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267898 ((4Z)-4-{[(3-Hydroxy-4-methoxybenzyl)amino]methylen...) Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccsc2)cc1O |w:8.7| Show InChI InChI=1S/C22H18N2O4S/c1-28-20-5-2-13(8-19(20)25)10-23-11-18-17-9-14(15-6-7-29-12-15)3-4-16(17)21(26)24-22(18)27/h2-9,11-12,23,25H,10H2,1H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267867 ((4Z)-4-{[(3-hydroxy-4-methoxybenzyl)amino]methylen...) Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-n2cccc2)cc1O |w:8.7| Show InChI InChI=1S/C22H19N3O4/c1-29-20-7-4-14(10-19(20)26)12-23-13-18-17-11-15(25-8-2-3-9-25)5-6-16(17)21(27)24-22(18)28/h2-11,13,23,26H,12H2,1H3,(H,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267482 (6-Cyclopentyl-4-{[(4-hydroxy-5-propoxy-pyridin-2-y...) Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C2CCCC2)cc1O |w:10.9| Show InChI InChI=1S/C24H27N3O4/c1-2-9-31-22-14-26-17(11-21(22)28)12-25-13-20-19-10-16(15-5-3-4-6-15)7-8-18(19)23(29)27-24(20)30/h7-8,10-11,13-15,25H,2-6,9,12H2,1H3,(H,26,28)(H,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267540 (6-Cyclopentyl-4-{[(5-furan-3-yl-4-hydroxy-pyridin-...) Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C2CCCC2)ncc1-c1ccoc1 |w:6.5| Show InChI InChI=1S/C25H23N3O4/c29-23-10-18(27-13-21(23)17-7-8-32-14-17)11-26-12-22-20-9-16(15-3-1-2-4-15)5-6-19(20)24(30)28-25(22)31/h5-10,12-15,26H,1-4,11H2,(H,27,29)(H,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50003643 (CHEMBL484477) Show SMILES COc1cc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc(O)c1OC Show InChI InChI=1S/C19H17BrN2O5/c1-26-16-6-10(5-15(23)17(16)27-2)8-21-9-14-13-7-11(20)3-4-12(13)18(24)22-19(14)25/h3-7,9,21,23H,8H2,1-2H3,(H,22,24,25)/b14-9-	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	<7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267399 (4-[(3-Hydroxy-4-pyridin-4-yl-benzylamino)-methylen...) Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccncc1 |w:6.5| Show InChI InChI=1S/C22H16IN3O3/c23-15-2-4-17-18(10-15)19(22(29)26-21(17)28)12-25-11-13-1-3-16(20(27)9-13)14-5-7-24-8-6-14/h1-10,12,25,27H,11H2,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267900 (4-[(3-Hydroxy-4-methoxy-benzylamino)-methylene]-6-...) Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccccc2)cc1O |w:8.7| Show InChI InChI=1S/C24H20N2O4/c1-30-22-10-7-15(11-21(22)27)13-25-14-20-19-12-17(16-5-3-2-4-6-16)8-9-18(19)23(28)26-24(20)29/h2-12,14,25,27H,13H2,1H3,(H,26,28,29)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267398 (4-[(3-Hydroxy-4-pyridin-3-yl-benzylamino)-methylen...) Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1cccnc1 |w:6.5| Show InChI InChI=1S/C22H16IN3O3/c23-15-4-6-17-18(9-15)19(22(29)26-21(17)28)12-25-10-13-3-5-16(20(27)8-13)14-2-1-7-24-11-14/h1-9,11-12,25,27H,10H2,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267479 (6-Iodo-4-{[(4-hydroxy-5-methoxy-pyridin-2-ylmethyl...) Show SMILES COc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:8.7| Show InChI InChI=1S/C17H14IN3O4/c1-25-15-8-20-10(5-14(15)22)6-19-7-13-12-4-9(18)2-3-11(12)16(23)21-17(13)24/h2-5,7-8,19H,6H2,1H3,(H,20,22)(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267865 ((4Z)-6-Iodo-4-{[(3-hydroxy-4-methoxybenzyl)amino]m...) Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:8.7| Show InChI InChI=1S/C18H15IN2O4/c1-25-16-5-2-10(6-15(16)22)8-20-9-14-13-7-11(19)3-4-12(13)17(23)21-18(14)24/h2-7,9,20,22H,8H2,1H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267402 (4-{[(6-Hydroxy-5-propoxy-pyridin-2-ylmethyl)-amino...) Show SMILES CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)[nH]c1=O |w:10.9| Show InChI InChI=1S/C19H18IN3O4/c1-2-7-27-16-6-4-12(22-19(16)26)9-21-10-15-14-8-11(20)3-5-13(14)17(24)23-18(15)25/h3-6,8,10,21H,2,7,9H2,1H3,(H,22,26)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267400 ((4Z)-4-{[(3-Hydroxy-4-propoxybenzyl)amino]methylen...) Show SMILES CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9| Show InChI InChI=1S/C20H19IN2O4/c1-2-7-27-18-6-3-12(8-17(18)24)10-22-11-16-15-9-13(21)4-5-14(15)19(25)23-20(16)26/h3-6,8-9,11,22,24H,2,7,10H2,1H3,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267481 (6-tert-Butyl-4-{[(4-hydroxy-5-propoxy-pyridin-2-yl...) Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C(C)(C)C)cc1O |w:10.9| Show InChI InChI=1S/C23H27N3O4/c1-5-8-30-20-13-25-15(10-19(20)27)11-24-12-18-17-9-14(23(2,3)4)6-7-16(17)21(28)26-22(18)29/h6-7,9-10,12-13,24H,5,8,11H2,1-4H3,(H,25,27)(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267539 (6-tert-Butyl-4-{[(5-furan-3-yl-4-hydroxy-pyridin-2...) Show SMILES CC(C)(C)c1ccc2C(=O)NC(=O)C(=CNCc3cc(O)c(cn3)-c3ccoc3)c2c1 |w:14.14| Show InChI InChI=1S/C24H23N3O4/c1-24(2,3)15-4-5-17-18(8-15)20(23(30)27-22(17)29)11-25-10-16-9-21(28)19(12-26-16)14-6-7-31-13-14/h4-9,11-13,25H,10H2,1-3H3,(H,26,28)(H,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267538 ((4Z)-{[(5-Furan-3-yl-4-hydroxy-pyridin-2-ylmethyl)...) Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ncc1-c1ccoc1 |w:6.5| Show InChI InChI=1S/C20H14IN3O4/c21-12-1-2-14-15(5-12)17(20(27)24-19(14)26)8-22-7-13-6-18(25)16(9-23-13)11-3-4-28-10-11/h1-6,8-10,22H,7H2,(H,23,25)(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267252 ((4Z)-4-{[(4-Methyl-3-hydroxybenzyl)amino]methylene...) Show SMILES Cc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:7.6| Show InChI InChI=1S/C18H15IN2O3/c1-10-2-3-11(6-16(10)22)8-20-9-15-14-7-12(19)4-5-13(14)17(23)21-18(15)24/h2-7,9,20,22H,8H2,1H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267483 (6-tert-Butyl-4-{[(4-hydroxy-5-phenyl-pyridin-2-ylm...) Show SMILES CC(C)(C)c1ccc2C(=O)NC(=O)C(=CNCc3cc(O)c(cn3)-c3ccccc3)c2c1 |w:14.14| Show InChI InChI=1S/C26H25N3O3/c1-26(2,3)17-9-10-19-20(11-17)22(25(32)29-24(19)31)14-27-13-18-12-23(30)21(15-28-18)16-7-5-4-6-8-16/h4-12,14-15,27H,13H2,1-3H3,(H,28,30)(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267937 ((4Z)-6-bromo-4-{[(4-ethoxy-3-hydroxybenzyl)amino]m...) Show SMILES CCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:9.8| Show InChI InChI=1S/C19H17BrN2O4/c1-2-26-17-6-3-11(7-16(17)23)9-21-10-15-14-8-12(20)4-5-13(14)18(24)22-19(15)25/h3-8,10,21,23H,2,9H2,1H3,(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267480 (4-{[(4-Hydroxy-5-propoxy-pyridin-2-ylmethyl)-amino...) Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9| Show InChI InChI=1S/C19H18IN3O4/c1-2-5-27-17-10-22-12(7-16(17)24)8-21-9-15-14-6-11(20)3-4-13(14)18(25)23-19(15)26/h3-4,6-7,9-10,21H,2,5,8H2,1H3,(H,22,24)(H,23,25,26)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267864 ((4Z)-6-Bromo-4-{[(3-hydroxy-4-methoxybenzyl)amino]...) Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:8.7| Show InChI InChI=1S/C18H15BrN2O4/c1-25-16-5-2-10(6-15(16)22)8-20-9-14-13-7-11(19)3-4-12(13)17(23)21-18(14)24/h2-7,9,20,22H,8H2,1H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267866 (4-[(3-Hydroxy-4-methoxy-benzylamino)-methylene]-6-...) Show SMILES COc1ccc2C(=O)NC(=O)C(=CNCc3ccc(OC)c(O)c3)c2c1 |w:12.12| Show InChI InChI=1S/C19H18N2O5/c1-25-12-4-5-13-14(8-12)15(19(24)21-18(13)23)10-20-9-11-3-6-17(26-2)16(22)7-11/h3-8,10,20,22H,9H2,1-2H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50003645 (CHEMBL520020) Show SMILES Oc1ccc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O Show InChI InChI=1S/C17H13BrN2O4/c18-10-2-3-11-12(6-10)13(17(24)20-16(11)23)8-19-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,23,24)/b13-8-	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	<40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50003644 (CHEMBL485503) Show SMILES COCCOc1ccc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O Show InChI InChI=1S/C20H19BrN2O5/c1-27-6-7-28-18-5-2-12(8-17(18)24)10-22-11-16-15-9-13(21)3-4-14(15)19(25)23-20(16)26/h2-5,8-9,11,22,24H,6-7,10H2,1H3,(H,23,25,26)/b16-11-	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	<40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267255 (4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...) Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5| Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267581 ((4Z)-4-[({[1-(3-Furyl)-2-oxo-1,2-dihydropyridin-4-...) Show SMILES Ic1ccc2C(=O)NC(=O)C(=CNCc3ccn(-c4ccoc4)c(=O)c3)c2c1 |w:11.11| Show InChI InChI=1S/C20H14IN3O4/c21-13-1-2-15-16(8-13)17(20(27)23-19(15)26)10-22-9-12-3-5-24(18(25)7-12)14-4-6-28-11-14/h1-8,10-11,22H,9H2,(H,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267251 ((4Z)-4-{[(4-Amino-3-hydroxybenzyl)amino]methylene}...) Show SMILES Nc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:7.6| Show InChI InChI=1S/C17H14BrN3O3/c18-10-2-3-11-12(6-10)13(17(24)21-16(11)23)8-20-7-9-1-4-14(19)15(22)5-9/h1-6,8,20,22H,7,19H2,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50003407 (CHEMBL3234568) Show SMILES CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N |r| Show InChI InChI=1S/C25H30F3N7O/c1-33-11-13-34(14-12-33)21-15-22(32-24(31-21)25(26,27)28)35-10-2-3-20(17-35)23(36)30-9-8-18-4-6-19(16-29)7-5-18/h4-7,15,20H,2-3,8-14,17H2,1H3,(H,30,36)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Agonist activity at TGR5 in human PBMC assessed as inhibition of LPS-induced TNFalpha production preincubated for 30 mins followed by LPS stimulation...				J Med Chem 57: 3263-82 (2014) Article DOI: 10.1021/jm401731q BindingDB Entry DOI: 10.7270/Q2H41SZ3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50003477 (CHEMBL3234569) Show SMILES FC(F)(F)c1nc(cc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N)N1CCNCC1 |r| Show InChI InChI=1S/C24H28F3N7O/c25-24(26,27)23-31-20(33-12-9-29-10-13-33)14-21(32-23)34-11-1-2-19(16-34)22(35)30-8-7-17-3-5-18(15-28)6-4-17/h3-6,14,19,29H,1-2,7-13,16H2,(H,30,35)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 57: 3263-82 (2014) Article DOI: 10.1021/jm401731q BindingDB Entry DOI: 10.7270/Q2H41SZ3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267254 (4-[(4-Furan-2-yl-3-hydroxy-benzylamino)-methylene]...) Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccco1 |w:6.5| Show InChI InChI=1S/C21H15IN2O4/c22-13-4-6-14-16(9-13)17(21(27)24-20(14)26)11-23-10-12-3-5-15(18(25)8-12)19-2-1-7-28-19/h1-9,11,23,25H,10H2,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267253 (4-{[(2-Hydroxy-biphenyl-4-ylmethyl)-amino]-methyle...) Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccccc1 |w:6.5| Show InChI InChI=1S/C23H17IN2O3/c24-16-7-9-18-19(11-16)20(23(29)26-22(18)28)13-25-12-14-6-8-17(21(27)10-14)15-4-2-1-3-5-15/h1-11,13,25,27H,12H2,(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267817 ((4Z)-6-Fluoro-4-{[(3-hydroxy-4-methoxybenzyl)amino...) Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(F)cc23)cc1O |w:8.7| Show InChI InChI=1S/C18H15FN2O4/c1-25-16-5-2-10(6-15(16)22)8-20-9-14-13-7-11(19)3-4-12(13)17(23)21-18(14)24/h2-7,9,20,22H,8H2,1H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267815 ((4Z)-4-{[(3-Hydroxy-4-methoxybenzyl)amino]methylen...) Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccccc23)cc1O |w:8.7| Show InChI InChI=1S/C18H16N2O4/c1-24-16-7-6-11(8-15(16)21)9-19-10-14-12-4-2-3-5-13(12)17(22)20-18(14)23/h2-8,10,19,21H,9H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50267481 (6-tert-Butyl-4-{[(4-hydroxy-5-propoxy-pyridin-2-yl...) Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C(C)(C)C)cc1O |w:10.9| Show InChI InChI=1S/C23H27N3O4/c1-5-8-30-20-13-25-15(10-19(20)27)11-24-12-18-17-9-14(23(2,3)4)6-7-16(17)21(28)26-22(18)29/h6-7,9-10,12-13,24H,5,8,11H2,1-4H3,(H,25,27)(H,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of retinoblastoma susceptibility gene product phosphorylation in human MCF7 cells after 24 hrs				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50003573 (CHEMBL3234871) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cc(nc(n1)C(F)(F)F)N1CC[C@H]1C(=O)NCCc1ccc(cc1)C#N |r,wU:6.9,28.32,wD:3.2,(43.64,-56.93,;44.97,-56.16,;46.31,-56.93,;44.97,-54.62,;46.31,-53.85,;46.3,-52.3,;44.97,-51.54,;43.65,-52.32,;43.64,-53.85,;44.96,-50,;43.62,-49.23,;43.62,-47.69,;44.96,-46.92,;46.29,-47.69,;46.29,-49.23,;44.96,-45.38,;46.29,-44.61,;46.29,-43.07,;44.96,-42.3,;43.63,-43.07,;43.62,-44.61,;42.29,-42.3,;40.95,-43.07,;42.29,-40.76,;40.95,-41.53,;47.63,-42.3,;48.02,-40.81,;49.51,-41.22,;49.11,-42.7,;49.87,-44.04,;49.1,-45.37,;51.41,-44.04,;52.19,-42.71,;53.73,-42.72,;54.5,-41.38,;56.04,-41.4,;56.81,-40.07,;56.04,-38.73,;54.49,-38.73,;53.73,-40.06,;56.81,-37.4,;57.58,-36.07,)| Show InChI InChI=1S/C31H30F3N5O3/c32-31(33,34)30-37-25(23-9-5-21(6-10-23)22-7-11-24(12-8-22)29(41)42)17-27(38-30)39-16-14-26(39)28(40)36-15-13-19-1-3-20(18-35)4-2-19/h1-6,9-10,17,22,24,26H,7-8,11-16H2,(H,36,40)(H,41,42)/t22-,24-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Agonist activity at TGR5 in human PBMC assessed as inhibition of LPS-induced TNFalpha production preincubated for 30 mins followed by LPS stimulation...				J Med Chem 57: 3263-82 (2014) Article DOI: 10.1021/jm401731q BindingDB Entry DOI: 10.7270/Q2H41SZ3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267818 ((4Z)-6-Chloro-4-{[(3-hydroxy-4-methoxybenzyl)amino...) Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Cl)cc23)cc1O |w:8.7| Show InChI InChI=1S/C18H15ClN2O4/c1-25-16-5-2-10(6-15(16)22)8-20-9-14-13-7-11(19)3-4-12(13)17(23)21-18(14)24/h2-7,9,20,22H,8H2,1H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267580 ((4Z)-6-Iodo-4-({[(2-oxo-1-phenyl-1,2dihydropyridin...) Show SMILES Ic1ccc2C(=O)NC(=O)C(=CNCc3ccn(-c4ccccc4)c(=O)c3)c2c1 |w:11.11| Show InChI InChI=1S/C22H16IN3O3/c23-15-6-7-17-18(11-15)19(22(29)25-21(17)28)13-24-12-14-8-9-26(20(27)10-14)16-4-2-1-3-5-16/h1-11,13,24H,12H2,(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50003562 (CHEMBL3234572) Show SMILES FC(F)(F)c1nc(cc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(nc1)C#N)N1CCNCC1 |r| Show InChI InChI=1S/C23H27F3N8O/c24-23(25,26)22-31-19(33-10-7-28-8-11-33)12-20(32-22)34-9-1-2-17(15-34)21(35)29-6-5-16-3-4-18(13-27)30-14-16/h3-4,12,14,17,28H,1-2,5-11,15H2,(H,29,35)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<300	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 57: 3263-82 (2014) Article DOI: 10.1021/jm401731q BindingDB Entry DOI: 10.7270/Q2H41SZ3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267935 ((4Z)-6-Bromo-4-{[(3-hydroxy-4propoxybenzyl)amino]m...) Show SMILES CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:10.9| Show InChI InChI=1S/C20H19BrN2O4/c1-2-7-27-18-6-3-12(8-17(18)24)10-22-11-16-15-9-13(21)4-5-14(15)19(25)23-20(16)26/h3-6,8-9,11,22,24H,2,7,10H2,1H3,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50267581 ((4Z)-4-[({[1-(3-Furyl)-2-oxo-1,2-dihydropyridin-4-...) Show SMILES Ic1ccc2C(=O)NC(=O)C(=CNCc3ccn(-c4ccoc4)c(=O)c3)c2c1 |w:11.11| Show InChI InChI=1S/C20H14IN3O4/c21-13-1-2-15-16(8-13)17(20(27)23-19(15)26)10-22-9-12-3-5-24(18(25)7-12)14-4-6-28-11-14/h1-8,10-11,22H,9H2,(H,23,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of retinoblastoma susceptibility gene product phosphorylation in human MCF7 cells after 24 hrs				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50003642 (CHEMBL489854) Show SMILES COc1ccc(cc1O)C(C)N\C=C1/C(=O)NC(=O)c2ccc(Br)cc12 Show InChI InChI=1S/C19H17BrN2O4/c1-10(11-3-6-17(26-2)16(23)7-11)21-9-15-14-8-12(20)4-5-13(14)18(24)22-19(15)25/h3-10,21,23H,1-2H3,(H,22,24,25)/b15-9-	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	<370	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50003076 (CHEMBL3234574) Show SMILES CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCCC[C@H]1C(=O)NCCc1ccc(cc1)C#N |r| Show InChI InChI=1S/C25H30F3N7O/c1-33-12-14-34(15-13-33)21-16-22(32-24(31-21)25(26,27)28)35-11-3-2-4-20(35)23(36)30-10-9-18-5-7-19(17-29)8-6-18/h5-8,16,20H,2-4,9-15H2,1H3,(H,30,36)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 57: 3263-82 (2014) Article DOI: 10.1021/jm401731q BindingDB Entry DOI: 10.7270/Q2H41SZ3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267401 (4-{[(4-Hydroxy-5-methoxy-pyrimidin-2-ylmethyl)-ami...) Show SMILES COc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)[nH]c1=O |w:8.7| Show InChI InChI=1S/C16H13IN4O4/c1-25-12-6-19-13(20-16(12)24)7-18-5-11-10-4-8(17)2-3-9(10)14(22)21-15(11)23/h2-6,18H,7H2,1H3,(H,19,20,24)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50267479 (6-Iodo-4-{[(4-hydroxy-5-methoxy-pyridin-2-ylmethyl...) Show SMILES COc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:8.7| Show InChI InChI=1S/C17H14IN3O4/c1-25-15-8-20-10(5-14(15)22)6-19-7-13-12-4-9(18)2-3-11(12)16(23)21-17(13)24/h2-5,7-8,19H,6H2,1H3,(H,20,22)(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267579 ((4Z)-6-Bromo-4-({[(2-oxo-1,2-dihydropyridin-4-yl)m...) Show SMILES Brc1ccc2C(=O)NC(=O)C(=CNCc3cc[nH]c(=O)c3)c2c1 |w:11.11| Show InChI InChI=1S/C16H12BrN3O3/c17-10-1-2-11-12(6-10)13(16(23)20-15(11)22)8-18-7-9-3-4-19-14(21)5-9/h1-6,8,18H,7H2,(H,19,21)(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50267255 (4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...) Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5| Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of retinoblastoma susceptibility gene product phosphorylation in human MCF7 cells after 24 hrs				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50267402 (4-{[(6-Hydroxy-5-propoxy-pyridin-2-ylmethyl)-amino...) Show SMILES CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)[nH]c1=O |w:10.9| Show InChI InChI=1S/C19H18IN3O4/c1-2-7-27-16-6-4-12(22-19(16)26)9-21-10-15-14-8-11(20)3-5-13(14)17(24)23-18(15)25/h3-6,8,10,21H,2,7,9H2,1H3,(H,22,26)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50003286 (CHEMBL3234576) Show SMILES CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@@H]1C(=O)NCCc1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H28F3N7O/c1-32-11-13-33(14-12-32)20-15-21(31-23(30-20)24(25,26)27)34-10-2-3-19(34)22(35)29-9-8-17-4-6-18(16-28)7-5-17/h4-7,15,19H,2-3,8-14H2,1H3,(H,29,35)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 57: 3263-82 (2014) Article DOI: 10.1021/jm401731q BindingDB Entry DOI: 10.7270/Q2H41SZ3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267814 ((4Z)-4-{[(3-Hydroxybenzyl)amino]methylene}isoquino...) Show SMILES Oc1cccc(CNC=C2C(=O)NC(=O)c3ccccc23)c1 |w:8.7| Show InChI InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-18-10-15-13-6-1-2-7-14(13)16(21)19-17(15)22/h1-8,10,18,20H,9H2,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50003289 (CHEMBL3234578) Show SMILES CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CC[C@@H]1C(=O)NCCc1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H26F3N7O/c1-31-10-12-32(13-11-31)19-14-20(30-22(29-19)23(24,25)26)33-9-7-18(33)21(34)28-8-6-16-2-4-17(15-27)5-3-16/h2-5,14,18H,6-13H2,1H3,(H,28,34)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 57: 3263-82 (2014) Article DOI: 10.1021/jm401731q BindingDB Entry DOI: 10.7270/Q2H41SZ3
					More data for this Ligand-Target Pair

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