Compile Data Set for Download or QSAR

Found 417 hits with Last Name = 'morishima' and Initial = 'h'   

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/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6632 (3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@@H]4c23)[nH]n1 |r| Show InChI InChI=1S/C25H25ClN6O2/c26-16-7-6-14-10-17(11-15(14)9-16)27-13-18-12-22(31-30-18)29-25(34)28-20-4-1-3-19-23(20)21-5-2-8-32(21)24(19)33/h1,3-4,6-7,9,12,17,21,27H,2,5,8,10-11,13H2,(H3,28,29,30,31,34)/t17-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6633 (3-[(9bS)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@H]4c23)[nH]n1 |r| Show InChI InChI=1S/C25H25ClN6O2/c26-16-7-6-14-10-17(11-15(14)9-16)27-13-18-12-22(31-30-18)29-25(34)28-20-4-1-3-19-23(20)21-5-2-8-32(21)24(19)33/h1,3-4,6-7,9,12,17,21,27H,2,5,8,10-11,13H2,(H3,28,29,30,31,34)/t17-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50109937 ((R)-2-[(Indane-2-carbonyl)-amino]-3-naphthalen-1-y...) Show SMILES SCCCOC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C26H27NO3S/c28-25(22-15-19-8-1-2-9-20(19)16-22)27-24(26(29)30-13-6-14-31)17-21-11-5-10-18-7-3-4-12-23(18)21/h1-5,7-12,22,24,31H,6,13-17H2,(H,27,28)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Tested for the inhibition of Candida GGTase I in Candida albicans				Bioorg Med Chem Lett 12: 629-32 (2002) BindingDB Entry DOI: 10.7270/Q2251HGT
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50109938 (9H-Xanthene-9-carboxylic acid {(R)-2-(3,4-dichloro...) Show SMILES Clc1ccc(C[C@@H](NC(=O)C2c3ccccc3Oc3ccccc23)C(=O)NCCc2cnc[nH]2)cc1Cl Show InChI InChI=1S/C28H24Cl2N4O3/c29-21-10-9-17(13-22(21)30)14-23(27(35)32-12-11-18-15-31-16-33-18)34-28(36)26-19-5-1-3-7-24(19)37-25-8-4-2-6-20(25)26/h1-10,13,15-16,23,26H,11-12,14H2,(H,31,33)(H,32,35)(H,34,36)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Candida geranylgeranyl transferase I at 3 uM				Bioorg Med Chem Lett 12: 629-32 (2002) BindingDB Entry DOI: 10.7270/Q2251HGT
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50109933 (2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazole-4-c...) Show SMILES OC(CS)C(CS)OC(=O)c1csc(n1)C1COc2ccccc2O1 Show InChI InChI=1S/C16H17NO5S3/c18-10(6-23)14(7-24)22-16(19)9-8-25-15(17-9)13-5-20-11-3-1-2-4-12(11)21-13/h1-4,8,10,13-14,18,23-24H,5-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Tested for the inhibition of Candida GGTase I in Candida albicans				Bioorg Med Chem Lett 12: 629-32 (2002) BindingDB Entry DOI: 10.7270/Q2251HGT
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50109933 (2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazole-4-c...) Show SMILES OC(CS)C(CS)OC(=O)c1csc(n1)C1COc2ccccc2O1 Show InChI InChI=1S/C16H17NO5S3/c18-10(6-23)14(7-24)22-16(19)9-8-25-15(17-9)13-5-20-11-3-1-2-4-12(11)21-13/h1-4,8,10,13-14,18,23-24H,5-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Tested for the inhibition of Candida GGTase I in Candida albicans				Bioorg Med Chem Lett 12: 629-32 (2002) BindingDB Entry DOI: 10.7270/Q2251HGT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6626 (1-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES O=C(Nc1ccn[nH]1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C15H15N5O2/c21-14-9-3-1-4-10(13(9)11-5-2-8-20(11)14)17-15(22)18-12-6-7-16-19-12/h1,3-4,6-7,11H,2,5,8H2,(H3,16,17,18,19,22)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6627 (1-[(9bS)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES O=C(Nc1ccn[nH]1)Nc1cccc2C(=O)N3CCC[C@H]3c12 |r| Show InChI InChI=1S/C15H15N5O2/c21-14-9-3-1-4-10(13(9)11-5-2-8-20(11)14)17-15(22)18-12-6-7-16-19-12/h1,3-4,6-7,11H,2,5,8H2,(H3,16,17,18,19,22)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50109940 (2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazole-4-c...) Show SMILES OC(CS)COC(=O)c1csc(n1)C1COc2ccccc2O1 Show InChI InChI=1S/C15H15NO5S2/c17-9(7-22)5-20-15(18)10-8-23-14(16-10)13-6-19-11-3-1-2-4-12(11)21-13/h1-4,8-9,13,17,22H,5-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Tested for the inhibition of Candida GGTase I in Candida albicans				Bioorg Med Chem Lett 12: 629-32 (2002) BindingDB Entry DOI: 10.7270/Q2251HGT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6619 (3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6623 (3-{5-[(tert-butylamino)methyl]-1H-pyrazol-3-yl}-1-...) Show SMILES CC(C)(C)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1 Show InChI InChI=1S/C20H26N6O2/c1-20(2,3)21-11-12-10-16(25-24-12)23-19(28)22-14-7-4-6-13-17(14)15-8-5-9-26(15)18(13)27/h4,6-7,10,15,21H,5,8-9,11H2,1-3H3,(H3,22,23,24,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6624 (3-{5-[(cyclopentylamino)methyl]-1H-pyrazol-3-yl}-1...) Show SMILES O=C(Nc1cc(CNC2CCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12 Show InChI InChI=1S/C21H26N6O2/c28-20-15-7-3-8-16(19(15)17-9-4-10-27(17)20)23-21(29)24-18-11-14(25-26-18)12-22-13-5-1-2-6-13/h3,7-8,11,13,17,22H,1-2,4-6,9-10,12H2,(H3,23,24,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6619 (3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	7.4	30
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 20 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM6619 (3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6655 (3-(9-oxo-9H-fluoren-4-yl)-1-pyridin-2-ylurea | Dia...) Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)c3ccccc3-c12 Show InChI InChI=1S/C19H13N3O2/c23-18-13-7-2-1-6-12(13)17-14(18)8-5-9-15(17)21-19(24)22-16-10-3-4-11-20-16/h1-11H,(H2,20,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	30
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4615-27 (2001) Article DOI: 10.1021/jm0103256 BindingDB Entry DOI: 10.7270/Q2736P3Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM6619 (3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6622 (1-{5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl}-...) Show SMILES CC(C)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1 Show InChI InChI=1S/C19H24N6O2/c1-11(2)20-10-12-9-16(24-23-12)22-19(27)21-14-6-3-5-13-17(14)15-7-4-8-25(15)18(13)26/h3,5-6,9,11,15,20H,4,7-8,10H2,1-2H3,(H3,21,22,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6621 (1-{5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl}-...) Show SMILES CCCNCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1 Show InChI InChI=1S/C19H24N6O2/c1-2-8-20-11-12-10-16(24-23-12)22-19(27)21-14-6-3-5-13-17(14)15-7-4-9-25(15)18(13)26/h3,5-6,10,15,20H,2,4,7-9,11H2,1H3,(H3,21,22,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM6632 (3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@@H]4c23)[nH]n1 |r| Show InChI InChI=1S/C25H25ClN6O2/c26-16-7-6-14-10-17(11-15(14)9-16)27-13-18-12-22(31-30-18)29-25(34)28-20-4-1-3-19-23(20)21-5-2-8-32(21)24(19)33/h1,3-4,6-7,9,12,17,21,27H,2,5,8,10-11,13H2,(H3,28,29,30,31,34)/t17-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6631 (3-[(9bS)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES O=C(Nc1cc(n[nH]1)[C@@H]1CCCN1)Nc1cccc2C(=O)N3CCC[C@H]3c12 |r| Show InChI InChI=1S/C19H22N6O2/c26-18-11-4-1-5-13(17(11)15-7-3-9-25(15)18)21-19(27)22-16-10-14(23-24-16)12-6-2-8-20-12/h1,4-5,10,12,15,20H,2-3,6-9H2,(H3,21,22,23,24,27)/t12-,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6630 (3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES O=C(Nc1cc(n[nH]1)[C@@H]1CCCN1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C19H22N6O2/c26-18-11-4-1-5-13(17(11)15-7-3-9-25(15)18)21-19(27)22-16-10-14(23-24-16)12-6-2-8-20-12/h1,4-5,10,12,15,20H,2-3,6-9H2,(H3,21,22,23,24,27)/t12-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50109935 (2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazole-4-c...) Show SMILES SCCCOC(=O)c1csc(n1)C1COc2ccccc2O1 Show InChI InChI=1S/C15H15NO4S2/c17-15(18-6-3-7-21)10-9-22-14(16-10)13-8-19-11-4-1-2-5-12(11)20-13/h1-2,4-5,9,13,21H,3,6-8H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Candida geranylgeranyl transferase I at 3 uM				Bioorg Med Chem Lett 12: 629-32 (2002) BindingDB Entry DOI: 10.7270/Q2251HGT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6629 (1-{5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl}-...) Show SMILES O=C(Nc1cc(CN2CCCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12 Show InChI InChI=1S/C21H26N6O2/c28-20-15-6-4-7-16(19(15)17-8-5-11-27(17)20)22-21(29)23-18-12-14(24-25-18)13-26-9-2-1-3-10-26/h4,6-7,12,17H,1-3,5,8-11,13H2,(H3,22,23,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6620 (3-{5-[(methylamino)methyl]-1H-pyrazol-3-yl}-1-{5-o...) Show SMILES CNCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1 Show InChI InChI=1S/C17H20N6O2/c1-18-9-10-8-14(22-21-10)20-17(25)19-12-5-2-4-11-15(12)13-6-3-7-23(13)16(11)24/h2,4-5,8,13,18H,3,6-7,9H2,1H3,(H3,19,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50109934 (CHEMBL347650 | Indan-2-carboxylic acid {(R)-1-[2-(...) Show SMILES O=C(NCCc1cnc[nH]1)[C@@H](Cc1cccc2ccccc12)NC(=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C28H28N4O2/c33-27(23-14-20-7-1-2-8-21(20)15-23)32-26(28(34)30-13-12-24-17-29-18-31-24)16-22-10-5-9-19-6-3-4-11-25(19)22/h1-11,17-18,23,26H,12-16H2,(H,29,31)(H,30,34)(H,32,33)/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Candida geranylgeranyl transferase I				Bioorg Med Chem Lett 12: 629-32 (2002) BindingDB Entry DOI: 10.7270/Q2251HGT
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM6633 (3-[(9bS)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@H]4c23)[nH]n1 |r| Show InChI InChI=1S/C25H25ClN6O2/c26-16-7-6-14-10-17(11-15(14)9-16)27-13-18-12-22(31-30-18)29-25(34)28-20-4-1-3-19-23(20)21-5-2-8-32(21)24(19)33/h1,3-4,6-7,9,12,17,21,27H,2,5,8,10-11,13H2,(H3,28,29,30,31,34)/t17-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6628 (1-{5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl}-...) Show SMILES O=C(Nc1cc(CN2CCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12 Show InChI InChI=1S/C20H24N6O2/c27-19-14-5-3-6-15(18(14)16-7-4-10-26(16)19)21-20(28)22-17-11-13(23-24-17)12-25-8-1-2-9-25/h3,5-6,11,16H,1-2,4,7-10,12H2,(H3,21,22,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM6632 (3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@@H]4c23)[nH]n1 |r| Show InChI InChI=1S/C25H25ClN6O2/c26-16-7-6-14-10-17(11-15(14)9-16)27-13-18-12-22(31-30-18)29-25(34)28-20-4-1-3-19-23(20)21-5-2-8-32(21)24(19)33/h1,3-4,6-7,9,12,17,21,27H,2,5,8,10-11,13H2,(H3,28,29,30,31,34)/t17-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6656 (3-1H-indazol-6-yl-1-pyridin-2-ylurea | Diarylurea ...) Show SMILES O=C(Nc1ccc2cn[nH]c2c1)Nc1ccccn1 Show InChI InChI=1S/C13H11N5O/c19-13(17-12-3-1-2-6-14-12)16-10-5-4-9-8-15-18-11(9)7-10/h1-8H,(H,15,18)(H2,14,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	30
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4615-27 (2001) Article DOI: 10.1021/jm0103256 BindingDB Entry DOI: 10.7270/Q2736P3Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6625 (3-{5-[(cyclohexylamino)methyl]-1H-pyrazol-3-yl}-1-...) Show SMILES O=C(Nc1cc(CNC2CCCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12 Show InChI InChI=1S/C22H28N6O2/c29-21-16-8-4-9-17(20(16)18-10-5-11-28(18)21)24-22(30)25-19-12-15(26-27-19)13-23-14-6-2-1-3-7-14/h4,8-9,12,14,18,23H,1-3,5-7,10-11,13H2,(H3,24,25,26,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50109936 (2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazole-4-c...) Show SMILES SCCCNC(=O)c1csc(n1)C1COc2ccccc2O1 Show InChI InChI=1S/C15H16N2O3S2/c18-14(16-6-3-7-21)10-9-22-15(17-10)13-8-19-11-4-1-2-5-12(11)20-13/h1-2,4-5,9,13,21H,3,6-8H2,(H,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Tested for the inhibition of Candida GGTase I in Candida albicans				Bioorg Med Chem Lett 12: 629-32 (2002) BindingDB Entry DOI: 10.7270/Q2251HGT
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50109939 (2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazole-4-c...) Show SMILES SCCOC(=O)c1csc(n1)C1COc2ccccc2O1 Show InChI InChI=1S/C14H13NO4S2/c16-14(17-5-6-20)9-8-21-13(15-9)12-7-18-10-3-1-2-4-11(10)19-12/h1-4,8,12,20H,5-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Candida geranylgeranyl transferase I at 3 uM				Bioorg Med Chem Lett 12: 629-32 (2002) BindingDB Entry DOI: 10.7270/Q2251HGT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM6633 (3-[(9bS)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@H]4c23)[nH]n1 |r| Show InChI InChI=1S/C25H25ClN6O2/c26-16-7-6-14-10-17(11-15(14)9-16)27-13-18-12-22(31-30-18)29-25(34)28-20-4-1-3-19-23(20)21-5-2-8-32(21)24(19)33/h1,3-4,6-7,9,12,17,21,27H,2,5,8,10-11,13H2,(H3,28,29,30,31,34)/t17-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM6619 (3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	7.0	22
Banyu Tsukuba Research Institute					Assay Description Src, Lck, Flt-1, ZAP, EGFR, FGFR1, and PFGFR-beta were assayed in the Merck research laboratory (Homogeneous proximity tyrosine kinase assays: scinti...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6657 (3-pyridin-2-yl-1-quinolin-5-ylurea | Diarylurea de...) Show SMILES O=C(Nc1ccccn1)Nc1cccc2ncccc12 Show InChI InChI=1S/C15H12N4O/c20-15(19-14-8-1-2-9-17-14)18-13-7-3-6-12-11(13)5-4-10-16-12/h1-10H,(H2,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	30
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4615-27 (2001) Article DOI: 10.1021/jm0103256 BindingDB Entry DOI: 10.7270/Q2736P3Q
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM6619 (3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	7.0	22
Banyu Tsukuba Research Institute					Assay Description Src, Lck, Flt-1, ZAP, EGFR, FGFR1, and PFGFR-beta were assayed in the Merck research laboratory (Homogeneous proximity tyrosine kinase assays: scinti...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139 (Homo sapiens (Human))	BDBM50086557 (CHEMBL334337 | NB-506 Analogue) Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3C[C@H](O)[C@@H](CO)O3)c1c1[nH]c3cc(O)ccc3c21 Show InChI InChI=1S/C28H26N4O9/c33-8-11(9-34)30-32-27(39)23-21-14-3-1-12(36)5-16(14)29-25(21)26-22(24(23)28(32)40)15-4-2-13(37)6-17(15)31(26)20-7-18(38)19(10-35)41-20/h1-6,11,18-20,29-30,33-38H,7-10H2/t18-,19+,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory effect on protein kinase C using histone II-As as substrate				Bioorg Med Chem Lett 10: 419-22 (2000) BindingDB Entry DOI: 10.7270/Q2F76BSS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6658 (3-(1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-1-pyrid...) Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)NC(=O)c12 Show InChI InChI=1S/C14H10N4O3/c19-12-8-4-3-5-9(11(8)13(20)18-12)16-14(21)17-10-6-1-2-7-15-10/h1-7H,(H,18,19,20)(H2,15,16,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	30
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4615-27 (2001) Article DOI: 10.1021/jm0103256 BindingDB Entry DOI: 10.7270/Q2736P3Q
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50073855 (1,11-dihydroxy-12-(3,4,5-trihydroxy-6-hydroxymethy...) Show SMILES OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)NC(=O)c3c3c4cccc(O)c4[nH]c3c12 Show InChI InChI=1S/C26H21N3O9/c30-7-12-21(33)22(34)23(35)26(38-12)29-19-9(4-2-6-11(19)32)14-16-15(24(36)28-25(16)37)13-8-3-1-5-10(31)17(8)27-18(13)20(14)29/h1-6,12,21-23,26-27,30-35H,7H2,(H,28,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description In vitro activity evaluated against protein kinase C (using histone II-As as a substrate)				Bioorg Med Chem Lett 9: 1219-24 (1999) BindingDB Entry DOI: 10.7270/Q2W37VG0
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM6619 (3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	7.0	22
Banyu Tsukuba Research Institute					Assay Description Src, Lck, Flt-1, ZAP, EGFR, FGFR1, and PFGFR-beta were assayed in the Merck research laboratory (Homogeneous proximity tyrosine kinase assays: scinti...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6619 (3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.0	22
Banyu Tsukuba Research Institute					Assay Description Src, Lck, Flt-1, ZAP, EGFR, FGFR1, and PFGFR-beta were assayed in the Merck research laboratory (Homogeneous proximity tyrosine kinase assays: scinti...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM6619 (3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	7.0	22
Banyu Tsukuba Research Institute					Assay Description Src, Lck, Flt-1, ZAP, EGFR, FGFR1, and PFGFR-beta were assayed in the Merck research laboratory (Homogeneous proximity tyrosine kinase assays: scinti...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50076937 (6-phenylamino-1,11-dihydroxy-12-(3,4,5-trihydroxy-...) Show SMILES OCC1OC(C(O)C(O)C1O)n1c2c(O)cccc2c2c3C(=O)N(NC(=O)Nc4ccccc4)C(=O)c3c3c4cccc(O)c4[nH]c3c12 Show InChI InChI=1S/C33H27N5O10/c39-12-18-27(42)28(43)29(44)32(48-18)37-25-15(9-5-11-17(25)41)20-22-21(19-14-8-4-10-16(40)23(14)35-24(19)26(20)37)30(45)38(31(22)46)36-33(47)34-13-6-2-1-3-7-13/h1-11,18,27-29,32,35,39-44H,12H2,(H2,34,36,47)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description In vitro activity evaluated against protein kinase C (using histone II-As as a substrate)				Bioorg Med Chem Lett 9: 1219-24 (1999) BindingDB Entry DOI: 10.7270/Q2W37VG0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM6628 (1-{5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl}-...) Show SMILES O=C(Nc1cc(CN2CCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12 Show InChI InChI=1S/C20H24N6O2/c27-19-14-5-3-6-15(18(14)16-7-4-10-26(16)19)21-20(28)22-17-11-13(23-24-17)12-25-8-1-2-9-25/h3,5-6,11,16H,1-2,4,7-10,12H2,(H3,21,22,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6654 (3-(7-hydroxynaphthalen-1-yl)-1-pyridin-2-ylurea | ...) Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccccn3)c2c1 Show InChI InChI=1S/C16H13N3O2/c20-12-8-7-11-4-3-5-14(13(11)10-12)18-16(21)19-15-6-1-2-9-17-15/h1-10,20H,(H2,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	30
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4615-27 (2001) Article DOI: 10.1021/jm0103256 BindingDB Entry DOI: 10.7270/Q2736P3Q
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM6624 (3-{5-[(cyclopentylamino)methyl]-1H-pyrazol-3-yl}-1...) Show SMILES O=C(Nc1cc(CNC2CCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12 Show InChI InChI=1S/C21H26N6O2/c28-20-15-7-3-8-16(19(15)17-9-4-10-27(17)20)23-21(29)24-18-11-14(25-26-18)12-22-13-5-1-2-6-13/h3,7-8,11,13,17,22H,1-2,4-6,9-10,12H2,(H3,23,24,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM6623 (3-{5-[(tert-butylamino)methyl]-1H-pyrazol-3-yl}-1-...) Show SMILES CC(C)(C)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1 Show InChI InChI=1S/C20H26N6O2/c1-20(2,3)21-11-12-10-16(25-24-12)23-19(28)22-14-7-4-6-13-17(14)15-8-5-9-26(15)18(13)27/h4,6-7,10,15,21H,5,8-9,11H2,1-3H3,(H3,22,23,24,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM6619 (3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...) Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.0	22
Banyu Tsukuba Research Institute					Assay Description Src, Lck, Flt-1, ZAP, EGFR, FGFR1, and PFGFR-beta were assayed in the Merck research laboratory (Homogeneous proximity tyrosine kinase assays: scinti...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50076941 (1,11-dihydroxy-6-(4-methylphenylsulfonamido)-5,7-d...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21 Show InChI InChI=1S/C33H28N4O11S/c1-13-8-10-14(11-9-13)49(46,47)35-37-31(44)22-20-15-4-2-6-17(39)24(15)34-25(20)27-21(23(22)32(37)45)16-5-3-7-18(40)26(16)36(27)33-30(43)29(42)28(41)19(12-38)48-33/h2-11,19,28-30,33-35,38-43H,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description In vitro activity evaluated against protein kinase C (using histone II-As as a substrate)				Bioorg Med Chem Lett 9: 1219-24 (1999) BindingDB Entry DOI: 10.7270/Q2W37VG0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM6629 (1-{5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl}-...) Show SMILES O=C(Nc1cc(CN2CCCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12 Show InChI InChI=1S/C21H26N6O2/c28-20-15-6-4-7-16(19(15)17-8-5-11-27(17)20)22-21(29)23-18-12-14(24-25-18)13-26-9-2-1-3-10-26/h4,6-7,12,17H,1-3,5,8-11,13H2,(H3,22,23,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
Banyu Tsukuba Research Institute					Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d...				J Med Chem 44: 4628-40 (2001) Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8
					More data for this Ligand-Target Pair				3D Structure (docked)

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