Compile Data Set for Download or QSAR

Found 29 hits of ic50 data for polymerid = 4028,50000692   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Biotin Carboxylase (Escherichia coli (strain K12))	BDBM3436 (6-(2,6-Dibromo-phenyl)-pyrido[2,3-d]pyrimidine-2,7...) Show SMILES Nc1ncc2cc(c(N)nc2n1)-c1c(Br)cccc1Br Show InChI InChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	8.0	23
Pfizer Inc					Assay Description Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...				ACS Chem Biol 4: 473-83 (2009) Article DOI: 10.1021/cb9000102 BindingDB Entry DOI: 10.7270/Q2WM1BR8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Biotin Carboxylase (Escherichia coli (strain K12))	BDBM32642 (amino-oxazole, 2d) Show SMILES Cc1ccccc1CN(Cc1ccc2OCCOc2c1)C(=O)c1cnc(N)o1 Show InChI InChI=1S/C21H21N3O4/c1-14-4-2-3-5-16(14)13-24(20(25)19-11-23-21(22)28-19)12-15-6-7-17-18(10-15)27-9-8-26-17/h2-7,10-11H,8-9,12-13H2,1H3,(H2,22,23)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	8.0	23
Pfizer Inc					Assay Description Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...				ACS Chem Biol 4: 473-83 (2009) Article DOI: 10.1021/cb9000102 BindingDB Entry DOI: 10.7270/Q2WM1BR8
					More data for this Ligand-Target Pair				3D Structure (docked)
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50528527 (CHEMBL4466052) Show SMILES COc1ccc(cn1)-c1cccc(Cl)c1-c1cc2cnc(N)nc2nc1N 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	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
					More data for this Ligand-Target Pair
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50528526 (CHEMBL4518489) Show SMILES N[C@H]1[C@@H]2CN(C[C@H]12)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl 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	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
					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 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	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
					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 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	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
					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	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
					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 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	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
					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 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	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
					More data for this Ligand-Target Pair
Biotin Carboxylase (Escherichia coli (strain K12))	BDBM32641 (amino-oxazole, 2c) Show SMILES Nc1ncc(o1)C(=O)N(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C18H17N3O2/c19-18-20-11-16(23-18)17(22)21(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H2,19,20)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	8.0	23
Pfizer Inc					Assay Description Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...				ACS Chem Biol 4: 473-83 (2009) Article DOI: 10.1021/cb9000102 BindingDB Entry DOI: 10.7270/Q2WM1BR8
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	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
					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 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	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
					More data for this Ligand-Target Pair
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50528515 (CHEMBL4582507) Show SMILES NC(=O)C1CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl Show InChI InChI=1S/C18H16Cl2N6O/c19-12-2-1-3-13(20)14(12)11-6-10-7-23-18(22)25-16(10)24-17(11)26-5-4-9(8-26)15(21)27/h1-3,6-7,9H,4-5,8H2,(H2,21,27)(H2,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	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
					More data for this Ligand-Target Pair
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM3436 (6-(2,6-Dibromo-phenyl)-pyrido[2,3-d]pyrimidine-2,7...) Show SMILES Nc1ncc2cc(c(N)nc2n1)-c1c(Br)cccc1Br Show InChI InChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	180	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
					More data for this Ligand-Target Pair
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50528525 (CHEMBL4440951) Show SMILES Nc1ncc2cc(c(nc2n1)N1CCC(N)(CO)C1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C18H18Cl2N6O/c19-12-2-1-3-13(20)14(12)11-6-10-7-23-17(21)25-15(10)24-16(11)26-5-4-18(22,8-26)9-27/h1-3,6-7,27H,4-5,8-9,22H2,(H2,21,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	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
					More data for this Ligand-Target Pair
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM3429 (6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-...) Show SMILES Nc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C13H9Cl2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	320	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
					More data for this Ligand-Target Pair
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50528517 (CHEMBL4464608) Show SMILES NCC1CCN(CC1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl Show InChI InChI=1S/C19H20Cl2N6/c20-14-2-1-3-15(21)16(14)13-8-12-10-24-19(23)26-17(12)25-18(13)27-6-4-11(9-22)5-7-27/h1-3,8,10-11H,4-7,9,22H2,(H2,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	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
					More data for this Ligand-Target Pair
Biotin Carboxylase (Escherichia coli (strain K12))	BDBM32644 (amino pyrimidine, 3c) Show SMILES Cc1c(ccc2nc(N)nc(N)c12)-c1ccccc1 Show InChI InChI=1S/C15H14N4/c1-9-11(10-5-3-2-4-6-10)7-8-12-13(9)14(16)19-15(17)18-12/h2-8H,1H3,(H4,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	333	n/a	n/a	n/a	n/a	8.0	23
Pfizer Inc					Assay Description Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...				ACS Chem Biol 4: 473-83 (2009) Article DOI: 10.1021/cb9000102 BindingDB Entry DOI: 10.7270/Q2WM1BR8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Biotin Carboxylase (Escherichia coli (strain K12))	BDBM32647 (amino pyrimidine, 6b) Show SMILES Cc1nc(cn1Cc1c(Cl)cccc1Cl)-c1ccnc(N)n1 Show InChI InChI=1S/C15H13Cl2N5/c1-9-20-14(13-5-6-19-15(18)21-13)8-22(9)7-10-11(16)3-2-4-12(10)17/h2-6,8H,7H2,1H3,(H2,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	DrugBank MMDB PDB Article PubMed	n/a	n/a	334	n/a	n/a	n/a	n/a	8.0	23
Pfizer Inc					Assay Description Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...				ACS Chem Biol 4: 473-83 (2009) Article DOI: 10.1021/cb9000102 BindingDB Entry DOI: 10.7270/Q2WM1BR8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Biotin carboxylase (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)	BDBM50528521 (CHEMBL4520904) Show SMILES NCC1(F)CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl Show InChI InChI=1S/C18H17Cl2FN6/c19-12-2-1-3-13(20)14(12)11-6-10-7-24-17(23)26-15(10)25-16(11)27-5-4-18(21,8-22)9-27/h1-3,6-7H,4-5,8-9,22H2,(H2,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	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
					More data for this Ligand-Target Pair
Biotin Carboxylase (Escherichia coli (strain K12))	BDBM32640 (amino-oxazole, 2b) Show SMILES CCCCN(Cc1ccccc1)C(=O)c1cnc(N)o1 Show InChI InChI=1S/C15H19N3O2/c1-2-3-9-18(11-12-7-5-4-6-8-12)14(19)13-10-17-15(16)20-13/h4-8,10H,2-3,9,11H2,1H3,(H2,16,17)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	8.0	23
Pfizer Inc					Assay Description Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...				ACS Chem Biol 4: 473-83 (2009) Article DOI: 10.1021/cb9000102 BindingDB Entry DOI: 10.7270/Q2WM1BR8
					More data for this Ligand-Target Pair				3D Structure (docked)
Biotin Carboxylase (Escherichia coli (strain K12))	BDBM32649 (amino imidazo-pyridinone, 8) Show SMILES Cc1nc2nc(N)[nH]c2c(O)c1Cc1ccccc1 Show InChI InChI=1S/C14H14N4O/c1-8-10(7-9-5-3-2-4-6-9)12(19)11-13(16-8)18-14(15)17-11/h2-6H,7H2,1H3,(H4,15,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	8.0	23
Pfizer Inc					Assay Description Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...				ACS Chem Biol 4: 473-83 (2009) Article DOI: 10.1021/cb9000102 BindingDB Entry DOI: 10.7270/Q2WM1BR8
					More data for this Ligand-Target Pair
Biotin Carboxylase (Escherichia coli (strain K12))	BDBM32648 (amino pyrimidine, 7) Show SMILES Nc1nccc(n1)C(=O)c1ccccc1 Show InChI InChI=1S/C11H9N3O/c12-11-13-7-6-9(14-11)10(15)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	8.0	23
Pfizer Inc					Assay Description Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...				ACS Chem Biol 4: 473-83 (2009) Article DOI: 10.1021/cb9000102 BindingDB Entry DOI: 10.7270/Q2WM1BR8
					More data for this Ligand-Target Pair
Biotin Carboxylase (Escherichia coli (strain K12))	BDBM32646 (amino pyrimidine, 6a) Show SMILES Nc1nc(cs1)-c1ccnc(N)n1 Show InChI InChI=1S/C7H7N5S/c8-6-10-2-1-4(11-6)5-3-13-7(9)12-5/h1-3H,(H2,9,12)(H2,8,10,11)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	DrugBank MMDB PC cid PC sid PDB UniChem	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	8.0	23
Pfizer Inc					Assay Description Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...				ACS Chem Biol 4: 473-83 (2009) Article DOI: 10.1021/cb9000102 BindingDB Entry DOI: 10.7270/Q2WM1BR8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Biotin Carboxylase (Escherichia coli (strain K12))	BDBM32639 (amino-oxazole, 2) Show SMILES Nc1ncc(o1)C(=O)c1cccc(Br)c1 Show InChI InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)9(14)8-5-13-10(12)15-8/h1-5H,(H2,12,13)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	DrugBank MMDB PC cid PC sid PDB UniChem	DrugBank MMDB PDB Article PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	8.0	23
Pfizer Inc					Assay Description Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...				ACS Chem Biol 4: 473-83 (2009) Article DOI: 10.1021/cb9000102 BindingDB Entry DOI: 10.7270/Q2WM1BR8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Biotin Carboxylase (Escherichia coli (strain K12))	BDBM32650 (1,3,5-triazine-2,4-diamine, 4) Show SMILES Nc1nc(N)nc(OCCOc2ccccc2)n1 Show InChI InChI=1S/C11H13N5O2/c12-9-14-10(13)16-11(15-9)18-7-6-17-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,12,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	DrugBank MMDB PC cid PC sid PDB UniChem	DrugBank MMDB PDB Article PubMed	n/a	n/a	2.54E+4	n/a	n/a	n/a	n/a	8.0	23
Pfizer Inc					Assay Description Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...				ACS Chem Biol 4: 473-83 (2009) Article DOI: 10.1021/cb9000102 BindingDB Entry DOI: 10.7270/Q2WM1BR8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Biotin Carboxylase (Escherichia coli (strain K12))	BDBM32645 (amino pyrimidine, 6) Show SMILES Cc1nc(cs1)-c1ccnc(N)n1 Show InChI InChI=1S/C8H8N4S/c1-5-11-7(4-13-5)6-2-3-10-8(9)12-6/h2-4H,1H3,(H2,9,10,12)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.93E+4	n/a	n/a	n/a	n/a	8.0	23
Pfizer Inc					Assay Description Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...				ACS Chem Biol 4: 473-83 (2009) Article DOI: 10.1021/cb9000102 BindingDB Entry DOI: 10.7270/Q2WM1BR8
					More data for this Ligand-Target Pair				3D Structure (docked)
Biotin Carboxylase (Escherichia coli (strain K12))	BDBM32643 (amino pyrimidine ketone, 3) Show SMILES CC1(C)CC(=O)c2c(N)ncnc2C1 Show InChI InChI=1S/C10H13N3O/c1-10(2)3-6-8(7(14)4-10)9(11)13-5-12-6/h5H,3-4H2,1-2H3,(H2,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	DrugBank MMDB PDB Article PubMed	n/a	n/a	6.08E+4	n/a	n/a	n/a	n/a	8.0	23
Pfizer Inc					Assay Description Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...				ACS Chem Biol 4: 473-83 (2009) Article DOI: 10.1021/cb9000102 BindingDB Entry DOI: 10.7270/Q2WM1BR8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Biotin Carboxylase (Escherichia coli (strain K12))	BDBM32651 (dihydro-2H-purin-6-amine, 5) Show SMILES CC(C)=CCn1cnc(N)c2ncnc12 Show InChI InChI=1S/C10H13N5/c1-7(2)3-4-15-6-14-9(11)8-10(15)13-5-12-8/h3,5-6H,4,11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	8.0	23
Pfizer Inc					Assay Description Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...				ACS Chem Biol 4: 473-83 (2009) Article DOI: 10.1021/cb9000102 BindingDB Entry DOI: 10.7270/Q2WM1BR8
					More data for this Ligand-Target Pair				3D Structure (crystal)