Compile Data Set for Download or QSAR

Found 161 hits with Last Name = 'sharp' and Initial = 'm'   

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 (Homo sapiens (Human))	BDBM5612 (2-[4-(aminomethyl)piperidin-1-yl]-N-{3-[4-(dimethy...) Show SMILES CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12 Show InChI InChI=1S/C26H30N6O2/c1-31(2)18-8-6-17(7-9-18)24-23-25(30-29-24)19-4-3-5-20(22(19)26(23)34)28-21(33)15-32-12-10-16(14-27)11-13-32/h3-9,16H,10-15,27H2,1-2H3,(H,28,33)(H,29,30)	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	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5649 (3-(Thien-3-yl)-5-(carbamoylamino)indeno[1,2-c]pyra...) Show SMILES NC(=O)Nc1cccc2-c3n[nH]c(-c4ccsc4)c3C(=O)c12 Show InChI InChI=1S/C15H10N4O2S/c16-15(21)17-9-3-1-2-8-10(9)14(20)11-12(18-19-13(8)11)7-4-5-22-6-7/h1-6H,(H,18,19)(H3,16,17,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5645 (3-(Thien-2-yl)-5-(carbamoylamino)indeno[1,2-c]pyra...) Show SMILES NC(=O)Nc1cccc2-c3n[nH]c(-c4cccs4)c3C(=O)c12 Show InChI InChI=1S/C15H10N4O2S/c16-15(21)17-8-4-1-3-7-10(8)14(20)11-12(7)18-19-13(11)9-5-2-6-22-9/h1-6H,(H,18,19)(H3,16,17,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5647 (3-(5-Methylthien-2-yl)-5-(carbamoylamino)indeno[1,...) Show SMILES Cc1ccc(s1)-c1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12 Show InChI InChI=1S/C16H12N4O2S/c1-7-5-6-10(23-7)14-12-13(19-20-14)8-3-2-4-9(18-16(17)22)11(8)15(12)21/h2-6H,1H3,(H,19,20)(H3,17,18,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5650 (3-(5-Chlorothien-3-yl)-5-(carbamoylamino)indeno[1,...) Show SMILES NC(=O)Nc1cccc2-c3n[nH]c(-c4csc(Cl)c4)c3C(=O)c12 Show InChI InChI=1S/C15H9ClN4O2S/c16-9-4-6(5-23-9)12-11-13(20-19-12)7-2-1-3-8(18-15(17)22)10(7)14(11)21/h1-5H,(H,19,20)(H3,17,18,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5612 (2-[4-(aminomethyl)piperidin-1-yl]-N-{3-[4-(dimethy...) Show SMILES CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12 Show InChI InChI=1S/C26H30N6O2/c1-31(2)18-8-6-17(7-9-18)24-23-25(30-29-24)19-4-3-5-20(22(19)26(23)34)28-21(33)15-32-12-10-16(14-27)11-13-32/h3-9,16H,10-15,27H2,1-2H3,(H,28,33)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5646 (3-(3-Methylthien-2-yl)-5-(carbamoylamino)indeno[1,...) Show SMILES Cc1ccsc1-c1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12 Show InChI InChI=1S/C16H12N4O2S/c1-7-5-6-23-15(7)13-11-12(19-20-13)8-3-2-4-9(18-16(17)22)10(8)14(11)21/h2-6H,1H3,(H,19,20)(H3,17,18,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM5616 (2-[4-(aminomethyl)piperidin-1-yl]-N-{3-[4-(morphol...) Show SMILES NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(c4C(=O)c23)-c2ccc(cc2)N2CCOCC2)CC1 Show InChI InChI=1S/C28H32N6O3/c29-16-18-8-10-33(11-9-18)17-23(35)30-22-3-1-2-21-24(22)28(36)25-26(31-32-27(21)25)19-4-6-20(7-5-19)34-12-14-37-15-13-34/h1-7,18H,8-17,29H2,(H,30,35)(H,31,32)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5628 (1-({[4-oxo-3-(propan-2-yl)-2H,4H-indeno[1,2-c]pyra...) Show SMILES CC(C)c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CC4)C(N)=O)c3C(=O)c12 Show InChI InChI=1S/C21H25N5O3/c1-11(2)18-17-19(25-24-18)13-4-3-5-14(16(13)20(17)28)23-15(27)10-26-8-6-12(7-9-26)21(22)29/h3-5,11-12H,6-10H2,1-2H3,(H2,22,29)(H,23,27)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia 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
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5616 (2-[4-(aminomethyl)piperidin-1-yl]-N-{3-[4-(morphol...) Show SMILES NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(c4C(=O)c23)-c2ccc(cc2)N2CCOCC2)CC1 Show InChI InChI=1S/C28H32N6O3/c29-16-18-8-10-33(11-9-18)17-23(35)30-22-3-1-2-21-24(22)28(36)25-26(31-32-27(21)25)19-4-6-20(7-5-19)34-12-14-37-15-13-34/h1-7,18H,8-17,29H2,(H,30,35)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5653 (3-(1-Methylpyrrol-3-yl)-5-(carbamoylamino)indeno[1...) Show SMILES Cn1ccc(c1)-c1n[nH]c2-c3cccc(NC(N)=O)c3C(=O)c12 Show InChI InChI=1S/C16H13N5O2/c1-21-6-5-8(7-21)13-12-14(20-19-13)9-3-2-4-10(18-16(17)23)11(9)15(12)22/h2-7H,1H3,(H,19,20)(H3,17,18,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5629 (1-[({3-cyclopropyl-4-oxo-2H,4H-indeno[1,2-c]pyrazo...) Show SMILES NC(=O)C1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C21H23N5O3/c22-21(29)12-6-8-26(9-7-12)10-15(27)23-14-3-1-2-13-16(14)20(28)17-18(11-4-5-11)24-25-19(13)17/h1-3,11-12H,4-10H2,(H2,22,29)(H,23,27)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5613 (3-(4-(N,N-Dimethylamino)phenyl)-5-((4-methylpipera...) Show SMILES CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCN(C)CC4)c3C(=O)c12 Show InChI InChI=1S/C25H28N6O2/c1-29(2)17-9-7-16(8-10-17)23-22-24(28-27-23)18-5-4-6-19(21(18)25(22)33)26-20(32)15-31-13-11-30(3)12-14-31/h4-10H,11-15H2,1-3H3,(H,26,32)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50528527 (CHEMBL4466052) Show SMILES COc1ccc(cn1)-c1cccc(Cl)c1-c1cc2cnc(N)nc2nc1N |(33.87,-5.31,;32.53,-4.54,;31.2,-5.31,;29.85,-4.54,;28.52,-5.31,;28.53,-6.84,;29.86,-7.62,;31.2,-6.85,;27.2,-7.61,;25.87,-6.84,;24.53,-7.61,;24.54,-9.16,;25.87,-9.93,;25.87,-11.47,;27.2,-9.16,;28.53,-9.93,;29.86,-9.15,;31.2,-9.92,;32.52,-9.15,;33.86,-9.91,;33.87,-11.46,;35.21,-12.22,;32.53,-12.23,;31.2,-11.46,;29.86,-12.24,;28.53,-11.47,;27.19,-12.46,)| Show InChI InChI=1S/C19H15ClN6O/c1-27-15-6-5-10(8-23-15)12-3-2-4-14(20)16(12)13-7-11-9-24-19(22)26-18(11)25-17(13)21/h2-9H,1H3,(H4,21,22,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Achaogen Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...				J Med Chem 62: 7489-7505 (2019) Article DOI: 10.1021/acs.jmedchem.9b00625 BindingDB Entry DOI: 10.7270/Q2JQ14G4
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5611 (3-(4-(N,N-Dimethylamino)phenyl)-5-(4-hydroxypiperi...) Show SMILES CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCC(O)CC4)c3C(=O)c12 Show InChI InChI=1S/C25H27N5O3/c1-29(2)16-8-6-15(7-9-16)23-22-24(28-27-23)18-4-3-5-19(21(18)25(22)33)26-20(32)14-30-12-10-17(31)11-13-30/h3-9,17,31H,10-14H2,1-2H3,(H,26,32)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50528526 (CHEMBL4518489) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2N)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |r,wU:7.9,5.6,1.0,(7.68,-40.79,;8.85,-41.8,;9.56,-40.43,;11.08,-40.68,;11.31,-42.2,;9.94,-42.89,;10.94,-44.05,;8.44,-43.29,;7.35,-44.37,;12.18,-39.59,;13.51,-40.36,;14.85,-39.59,;16.18,-40.35,;17.51,-39.58,;18.85,-40.34,;17.5,-38.03,;16.17,-37.27,;14.84,-38.04,;13.51,-37.28,;12.18,-38.05,;10.86,-37.28,;10.86,-35.74,;12.19,-34.98,;9.53,-34.97,;8.19,-35.74,;8.2,-37.29,;9.53,-38.05,;9.57,-39.49,)| Show InChI InChI=1S/C18H16Cl2N6/c19-12-2-1-3-13(20)14(12)9-4-8-5-23-18(22)25-16(8)24-17(9)26-6-10-11(7-26)15(10)21/h1-5,10-11,15H,6-7,21H2,(H2,22,23,24,25)/t10-,11+,15+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Achaogen Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...				J Med Chem 62: 7489-7505 (2019) Article DOI: 10.1021/acs.jmedchem.9b00625 BindingDB Entry DOI: 10.7270/Q2JQ14G4
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5630 (1-[({3-cyclohexyl-4-oxo-2H,4H-indeno[1,2-c]pyrazol...) Show SMILES NC(=O)C1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CCCCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C24H29N5O3/c25-24(32)15-9-11-29(12-10-15)13-18(30)26-17-8-4-7-16-19(17)23(31)20-21(27-28-22(16)20)14-5-2-1-3-6-14/h4,7-8,14-15H,1-3,5-6,9-13H2,(H2,25,32)(H,26,30)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50528519 (CHEMBL4530311) Show SMILES Nc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1-c1cccnc1 |(16.78,-11.99,;15.44,-11.22,;15.43,-9.67,;14.1,-8.91,;12.77,-9.69,;11.43,-8.92,;10.1,-9.69,;10.1,-11.24,;8.76,-12.23,;11.44,-12.01,;12.77,-11.23,;14.11,-12,;8.77,-8.92,;7.44,-9.69,;7.45,-11.23,;6.11,-8.93,;6.1,-7.38,;7.44,-6.61,;8.77,-7.38,;10.1,-6.61,;10.1,-5.08,;11.43,-4.3,;12.77,-5.07,;12.77,-6.62,;11.43,-7.39,)| Show InChI InChI=1S/C18H13ClN6/c19-14-5-1-4-12(10-3-2-6-22-8-10)15(14)13-7-11-9-23-18(21)25-17(11)24-16(13)20/h1-9H,(H4,20,21,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Achaogen Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...				J Med Chem 62: 7489-7505 (2019) Article DOI: 10.1021/acs.jmedchem.9b00625 BindingDB Entry DOI: 10.7270/Q2JQ14G4
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5610 (3-(4-(N,N-Dimethylamino)phenyl)-5-(morpholinoaceta...) Show SMILES CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCOCC4)c3C(=O)c12 Show InChI InChI=1S/C24H25N5O3/c1-28(2)16-8-6-15(7-9-16)22-21-23(27-26-22)17-4-3-5-18(20(17)24(21)31)25-19(30)14-29-10-12-32-13-11-29/h3-9H,10-14H2,1-2H3,(H,25,30)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5614 (2-(morpholin-4-yl)-N-{3-[4-(morpholin-4-yl)phenyl]...) Show SMILES O=C(CN1CCOCC1)Nc1cccc2-c3n[nH]c(c3C(=O)c12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C26H27N5O4/c32-21(16-30-8-12-34-13-9-30)27-20-3-1-2-19-22(20)26(33)23-24(28-29-25(19)23)17-4-6-18(7-5-17)31-10-14-35-15-11-31/h1-7H,8-16H2,(H,27,32)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5617 (2-(4-methylpiperazin-1-yl)-N-{3-[4-(morpholin-4-yl...) Show SMILES CN1CCN(CC(=O)Nc2cccc3-c4n[nH]c(c4C(=O)c23)-c2ccc(cc2)N2CCOCC2)CC1 Show InChI InChI=1S/C27H30N6O3/c1-31-9-11-32(12-10-31)17-22(34)28-21-4-2-3-20-23(21)27(35)24-25(29-30-26(20)24)18-5-7-19(8-6-18)33-13-15-36-16-14-33/h2-8H,9-17H2,1H3,(H,28,34)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5632 (2-[4-(aminomethyl)piperidin-1-yl]-N-[4-oxo-3-(prop...) Show SMILES CC(C)c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12 Show InChI InChI=1S/C21H27N5O2/c1-12(2)19-18-20(25-24-19)14-4-3-5-15(17(14)21(18)28)23-16(27)11-26-8-6-13(10-22)7-9-26/h3-5,12-13H,6-11,22H2,1-2H3,(H,23,27)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM5611 (3-(4-(N,N-Dimethylamino)phenyl)-5-(4-hydroxypiperi...) Show SMILES CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCC(O)CC4)c3C(=O)c12 Show InChI InChI=1S/C25H27N5O3/c1-29(2)16-8-6-15(7-9-16)23-22-24(28-27-23)18-4-3-5-19(21(18)25(22)33)26-20(32)14-30-12-10-17(31)11-13-30/h3-9,17,31H,10-14H2,1-2H3,(H,26,32)(H,27,28)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM5647 (3-(5-Methylthien-2-yl)-5-(carbamoylamino)indeno[1,...) Show SMILES Cc1ccc(s1)-c1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12 Show InChI InChI=1S/C16H12N4O2S/c1-7-5-6-10(23-7)14-12-13(19-20-14)8-3-2-4-9(18-16(17)22)11(8)15(12)21/h2-6H,1H3,(H,19,20)(H3,17,18,22)	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	53	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM5613 (3-(4-(N,N-Dimethylamino)phenyl)-5-((4-methylpipera...) Show SMILES CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCN(C)CC4)c3C(=O)c12 Show InChI InChI=1S/C25H28N6O2/c1-29(2)17-9-7-16(8-10-17)23-22-24(28-27-23)18-5-4-6-19(21(18)25(22)33)26-20(32)15-31-13-11-30(3)12-14-31/h4-10H,11-15H2,1-3H3,(H,26,32)(H,27,28)	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	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5633 (2-[4-(aminomethyl)piperidin-1-yl]-N-{3-cyclopropyl...) Show SMILES NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C21H25N5O2/c22-10-12-6-8-26(9-7-12)11-16(27)23-15-3-1-2-14-17(15)21(28)18-19(13-4-5-13)24-25-20(14)18/h1-3,12-13H,4-11,22H2,(H,23,27)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM5650 (3-(5-Chlorothien-3-yl)-5-(carbamoylamino)indeno[1,...) Show SMILES NC(=O)Nc1cccc2-c3n[nH]c(-c4csc(Cl)c4)c3C(=O)c12 Show InChI InChI=1S/C15H9ClN4O2S/c16-9-4-6(5-23-9)12-11-13(20-19-12)7-2-1-3-8(18-15(17)22)10(7)14(11)21/h1-5H,(H,19,20)(H3,17,18,22)	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	57	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5651 (3-(2,5-Dimethylthien-3-yl)-5-(carbamoylamino)inden...) Show SMILES Cc1cc(c(C)s1)-c1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12 Show InChI InChI=1S/C17H14N4O2S/c1-7-6-10(8(2)24-7)15-13-14(20-21-15)9-4-3-5-11(19-17(18)23)12(9)16(13)22/h3-6H,1-2H3,(H,20,21)(H3,18,19,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50528516 (CHEMBL4459017) Show SMILES NCC1CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(46.99,-26.96,;47.55,-25.52,;49.07,-25.29,;50.15,-26.39,;51.53,-25.7,;51.3,-24.17,;49.78,-23.92,;52.4,-23.09,;53.74,-23.86,;55.07,-23.08,;56.4,-23.85,;57.74,-23.08,;59.07,-23.84,;57.73,-21.53,;56.39,-20.77,;55.07,-21.54,;53.73,-20.78,;52.4,-21.55,;51.07,-20.78,;51.08,-19.24,;52.41,-18.47,;49.75,-18.47,;48.41,-19.24,;48.42,-20.78,;49.75,-21.55,;49.79,-22.99,)| Show InChI InChI=1S/C18H18Cl2N6/c19-13-2-1-3-14(20)15(13)12-6-11-8-23-18(22)25-16(11)24-17(12)26-5-4-10(7-21)9-26/h1-3,6,8,10H,4-5,7,9,21H2,(H2,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Achaogen Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...				J Med Chem 62: 7489-7505 (2019) Article DOI: 10.1021/acs.jmedchem.9b00625 BindingDB Entry DOI: 10.7270/Q2JQ14G4
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM5649 (3-(Thien-3-yl)-5-(carbamoylamino)indeno[1,2-c]pyra...) Show SMILES NC(=O)Nc1cccc2-c3n[nH]c(-c4ccsc4)c3C(=O)c12 Show InChI InChI=1S/C15H10N4O2S/c16-15(21)17-9-3-1-2-8-10(9)14(20)11-12(18-19-13(8)11)7-4-5-22-6-7/h1-6H,(H,18,19)(H3,16,17,21)	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	67	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5636 (3-(Pyrid-4-yl)-5-(acetamido)indeno[1,2-c]pyrazol-4...) Show SMILES CC(=O)Nc1cccc2-c3[nH]nc(c3C(=O)c12)-c1ccncc1 Show InChI InChI=1S/C17H12N4O2/c1-9(22)19-12-4-2-3-11-13(12)17(23)14-15(20-21-16(11)14)10-5-7-18-8-6-10/h2-8H,1H3,(H,19,22)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50528524 (CHEMBL4450292) Show SMILES Nc1ncc2cc(c(N)nc2n1)-c1ccccc1-c1ccccc1 Show InChI InChI=1S/C19H15N5/c20-17-16(10-13-11-22-19(21)24-18(13)23-17)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-11H,(H4,20,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Achaogen Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...				J Med Chem 62: 7489-7505 (2019) Article DOI: 10.1021/acs.jmedchem.9b00625 BindingDB Entry DOI: 10.7270/Q2JQ14G4
					More data for this Ligand-Target Pair
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50528522 (CHEMBL4563086) Show SMILES NCC1(O)CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(26.75,-27.06,;27.31,-25.63,;28.83,-25.4,;28.05,-24.05,;29.91,-26.49,;31.29,-25.8,;31.06,-24.28,;29.54,-24.03,;32.16,-23.19,;33.49,-23.96,;34.83,-23.19,;36.16,-23.95,;37.49,-23.18,;38.83,-23.94,;37.48,-21.63,;36.15,-20.87,;34.82,-21.64,;33.49,-20.88,;32.16,-21.65,;30.83,-20.88,;30.84,-19.34,;32.17,-18.57,;29.5,-18.57,;28.17,-19.34,;28.18,-20.89,;29.51,-21.65,;29.55,-23.09,)| Show InChI InChI=1S/C18H18Cl2N6O/c19-12-2-1-3-13(20)14(12)11-6-10-7-23-17(22)25-15(10)24-16(11)26-5-4-18(27,8-21)9-26/h1-3,6-7,27H,4-5,8-9,21H2,(H2,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Achaogen Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...				J Med Chem 62: 7489-7505 (2019) Article DOI: 10.1021/acs.jmedchem.9b00625 BindingDB Entry DOI: 10.7270/Q2JQ14G4
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5642 (3-Isopropyl-5-(carbamoylamino)indeno[1,2-c]pyrazol...) Show SMILES CC(C)c1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12 Show InChI InChI=1S/C14H14N4O2/c1-6(2)11-10-12(18-17-11)7-4-3-5-8(16-14(15)20)9(7)13(10)19/h3-6H,1-2H3,(H,17,18)(H3,15,16,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5615 (2-(4-hydroxypiperidin-1-yl)-N-{3-[4-(morpholin-4-y...) Show SMILES OC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(c4C(=O)c23)-c2ccc(cc2)N2CCOCC2)CC1 Show InChI InChI=1S/C27H29N5O4/c33-19-8-10-31(11-9-19)16-22(34)28-21-3-1-2-20-23(21)27(35)24-25(29-30-26(20)24)17-4-6-18(7-5-17)32-12-14-36-15-13-32/h1-7,19,33H,8-16H2,(H,28,34)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5652 (3-(Furan-2-yl)-5-(carbamoylamino)indeno[1,2-c]pyra...) Show SMILES NC(=O)Nc1cccc2-c3[nH]nc(-c4ccco4)c3C(=O)c12 Show InChI InChI=1S/C15H10N4O3/c16-15(21)17-8-4-1-3-7-10(8)14(20)11-12(7)18-19-13(11)9-5-2-6-22-9/h1-6H,(H,18,19)(H3,16,17,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50528520 (CHEMBL4445287) Show SMILES CC(C)COc1cccc(Cl)c1-c1cc2cnc(N)nc2nc1N |(50.29,-2.93,;50.29,-4.47,;51.63,-5.24,;48.96,-5.24,;48.96,-6.78,;47.62,-7.55,;46.29,-6.78,;44.95,-7.55,;44.96,-9.1,;46.29,-9.86,;46.3,-11.4,;47.62,-9.09,;48.95,-9.86,;50.28,-9.09,;51.61,-9.86,;52.94,-9.08,;54.28,-9.84,;54.29,-11.39,;55.62,-12.16,;52.95,-12.17,;51.62,-11.4,;50.28,-12.18,;48.95,-11.41,;47.61,-12.39,)| Show InChI InChI=1S/C17H18ClN5O/c1-9(2)8-24-13-5-3-4-12(18)14(13)11-6-10-7-21-17(20)23-16(10)22-15(11)19/h3-7,9H,8H2,1-2H3,(H4,19,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Achaogen Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...				J Med Chem 62: 7489-7505 (2019) Article DOI: 10.1021/acs.jmedchem.9b00625 BindingDB Entry DOI: 10.7270/Q2JQ14G4
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5634 (2-[4-(aminomethyl)piperidin-1-yl]-N-{3-cyclohexyl-...) Show SMILES NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CCCCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C24H31N5O2/c25-13-15-9-11-29(12-10-15)14-19(30)26-18-8-4-7-17-20(18)24(31)21-22(27-28-23(17)21)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14,25H2,(H,26,30)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM5629 (1-[({3-cyclopropyl-4-oxo-2H,4H-indeno[1,2-c]pyrazo...) Show SMILES NC(=O)C1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C21H23N5O3/c22-21(29)12-6-8-26(9-7-12)10-15(27)23-14-3-1-2-13-16(14)20(28)17-18(11-4-5-11)24-25-19(13)17/h1-3,11-12H,4-10H2,(H2,22,29)(H,23,27)(H,24,25)	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	>99	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM5610 (3-(4-(N,N-Dimethylamino)phenyl)-5-(morpholinoaceta...) Show SMILES CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCOCC4)c3C(=O)c12 Show InChI InChI=1S/C24H25N5O3/c1-28(2)16-8-6-15(7-9-16)22-21-23(27-26-22)17-4-3-5-18(20(17)24(21)31)25-19(30)14-29-10-12-32-13-11-29/h3-9H,10-14H2,1-2H3,(H,25,30)(H,26,27)	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM5615 (2-(4-hydroxypiperidin-1-yl)-N-{3-[4-(morpholin-4-y...) Show SMILES OC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(c4C(=O)c23)-c2ccc(cc2)N2CCOCC2)CC1 Show InChI InChI=1S/C27H29N5O4/c33-19-8-10-31(11-9-19)16-22(34)28-21-3-1-2-20-23(21)27(35)24-25(29-30-26(20)24)17-4-6-18(7-5-17)32-12-14-36-15-13-32/h1-7,19,33H,8-16H2,(H,28,34)(H,29,30)	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM5614 (2-(morpholin-4-yl)-N-{3-[4-(morpholin-4-yl)phenyl]...) Show SMILES O=C(CN1CCOCC1)Nc1cccc2-c3n[nH]c(c3C(=O)c12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C26H27N5O4/c32-21(16-30-8-12-34-13-9-30)27-20-3-1-2-19-22(20)26(33)23-24(28-29-25(19)23)17-4-6-18(7-5-17)31-10-14-35-15-11-31/h1-7H,8-16H2,(H,27,32)(H,28,29)	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	120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5609 (3-(4-Methylthiophenyl)-5-(acetamido)indeno[1,2-c]p...) Show SMILES CSc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12 Show InChI InChI=1S/C19H15N3O2S/c1-10(23)20-14-5-3-4-13-15(14)19(24)16-17(21-22-18(13)16)11-6-8-12(25-2)9-7-11/h3-9H,1-2H3,(H,20,23)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM5653 (3-(1-Methylpyrrol-3-yl)-5-(carbamoylamino)indeno[1...) Show SMILES Cn1ccc(c1)-c1n[nH]c2-c3cccc(NC(N)=O)c3C(=O)c12 Show InChI InChI=1S/C16H13N5O2/c1-21-6-5-8(7-21)13-12-14(20-19-13)9-3-2-4-10(18-16(17)23)11(9)15(12)22/h2-7H,1H3,(H,19,20)(H3,17,18,23)	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	130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50528518 (CHEMBL4551132) Show SMILES Nc1ncc2cc(c(N)nc2n1)-c1ccccc1-c1cccnc1 Show InChI InChI=1S/C18H14N6/c19-16-15(8-12-10-22-18(20)24-17(12)23-16)14-6-2-1-5-13(14)11-4-3-7-21-9-11/h1-10H,(H4,19,20,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Achaogen Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...				J Med Chem 62: 7489-7505 (2019) Article DOI: 10.1021/acs.jmedchem.9b00625 BindingDB Entry DOI: 10.7270/Q2JQ14G4
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5627 (1-[({3-ethyl-4-oxo-2H,4H-indeno[1,2-c]pyrazol-5-yl...) Show SMILES CCc1[nH]nc2-c3cccc(NC(=O)CN4CCC(CC4)C(N)=O)c3C(=O)c12 Show InChI InChI=1S/C20H23N5O3/c1-2-13-17-18(24-23-13)12-4-3-5-14(16(12)19(17)27)22-15(26)10-25-8-6-11(7-9-25)20(21)28/h3-5,11H,2,6-10H2,1H3,(H2,21,28)(H,22,26)(H,23,24)	PDB UniProtKB/SwissProt antibodypedia 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
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5648 (3-(5-Carboethoxythien-2-yl)-5-(carbamoylamino)inde...) Show SMILES CCOC(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12 Show InChI InChI=1S/C18H14N4O4S/c1-2-26-17(24)11-7-6-10(27-11)15-13-14(21-22-15)8-4-3-5-9(20-18(19)25)12(8)16(13)23/h3-7H,2H2,1H3,(H,21,22)(H3,19,20,25)	PDB UniProtKB/SwissProt antibodypedia 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
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5643 (3-Cyclopropyl-5-(carbamoylamino)indeno[1,2-c]pyraz...) Show SMILES NC(=O)Nc1cccc2-c3n[nH]c(C4CC4)c3C(=O)c12 Show InChI InChI=1S/C14H12N4O2/c15-14(20)16-8-3-1-2-7-9(8)13(19)10-11(6-4-5-6)17-18-12(7)10/h1-3,6H,4-5H2,(H,17,18)(H3,15,16,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50528523 (CHEMBL4564355) Show SMILES Nc1ncc2cc(c(nc2n1)N1CCC(CO)C1)-c1c(Cl)cccc1Cl |(54.92,-9.04,;53.59,-8.28,;53.58,-6.73,;52.24,-5.97,;50.92,-6.74,;49.58,-5.98,;48.25,-6.75,;48.25,-8.29,;49.59,-9.06,;50.92,-8.28,;52.25,-9.05,;47.15,-9.37,;47.38,-10.9,;46,-11.59,;44.92,-10.49,;43.4,-10.72,;42.84,-12.16,;45.63,-9.12,;46.93,-5.98,;46.93,-4.44,;48.26,-3.67,;45.6,-3.67,;44.26,-4.44,;44.27,-5.99,;45.6,-6.75,;45.64,-8.19,)| Show InChI InChI=1S/C18H17Cl2N5O/c19-13-2-1-3-14(20)15(13)12-6-11-7-22-18(21)24-16(11)23-17(12)25-5-4-10(8-25)9-26/h1-3,6-7,10,26H,4-5,8-9H2,(H2,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Achaogen Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...				J Med Chem 62: 7489-7505 (2019) Article DOI: 10.1021/acs.jmedchem.9b00625 BindingDB Entry DOI: 10.7270/Q2JQ14G4
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5644 (3-Cyclohexyl-5-(carbamoylamino)indeno[1,2-c]pyrazo...) Show SMILES NC(=O)Nc1cccc2-c3n[nH]c(C4CCCCC4)c3C(=O)c12 Show InChI InChI=1S/C17H18N4O2/c18-17(23)19-11-8-4-7-10-12(11)16(22)13-14(20-21-15(10)13)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,20,21)(H3,18,19,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...				J Med Chem 45: 5233-48 (2002) Article DOI: 10.1021/jm0201722 BindingDB Entry DOI: 10.7270/Q2MG7MQJ
					More data for this Ligand-Target Pair

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