Compile Data Set for Download or QSAR

Found 11 hits of ec50 data for polymerid = 5152   

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
Myeloperoxidase (Homo sapiens (Human))	BDBM50229897 (CHEMBL314007) Show SMILES Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3C(F)(F)F)ccc2n1 Show InChI InChI=1S/C20H16F3N3O/c1-12-10-17(24)15-11-14(7-8-18(15)25-12)26-19(27)9-6-13-4-2-3-5-16(13)20(21,22)23/h2-11H,1H3,(H2,24,25)(H,26,27)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	<3.00E+3	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for the induction of nonspecific myeloperoxidase (MPO) release				J Med Chem 35: 252-8 (1992) BindingDB Entry DOI: 10.7270/Q2X63Q54
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50229904 (CHEMBL87465) Show SMILES Cc1cc(N)c2cc(NC(=O)\C=C\c3c(Cl)cccc3Cl)ccc2n1 Show InChI InChI=1S/C19H15Cl2N3O/c1-11-9-17(22)14-10-12(5-7-18(14)23-11)24-19(25)8-6-13-15(20)3-2-4-16(13)21/h2-10H,1H3,(H2,22,23)(H,24,25)/b8-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	<3.00E+3	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for the induction of nonspecific myeloperoxidase (MPO) release				J Med Chem 35: 252-8 (1992) BindingDB Entry DOI: 10.7270/Q2X63Q54
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM55880 ((E)-N-(4-amino-2-methyl-6-quinolinyl)-3-(2-chlorop...) Show SMILES Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1 Show InChI InChI=1S/C19H16ClN3O/c1-12-10-17(21)15-11-14(7-8-18(15)22-12)23-19(24)9-6-13-4-2-3-5-16(13)20/h2-11H,1H3,(H2,21,22)(H,23,24)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	<3.00E+3	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for the induction of nonspecific myeloperoxidase (MPO) release				J Med Chem 35: 252-8 (1992) BindingDB Entry DOI: 10.7270/Q2X63Q54
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50229902 (CHEMBL313562) Show SMILES Cc1cc(N)c2cc(NC(=O)C(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1 Show InChI InChI=1S/C22H20N6O2/c1-11-7-17(23)15-9-13(3-5-19(15)25-11)27-21(29)22(30)28-14-4-6-20-16(10-14)18(24)8-12(2)26-20/h3-10H,1-2H3,(H2,23,25)(H2,24,26)(H,27,29)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	<3.00E+3	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for the induction of nonspecific myeloperoxidase (MPO) release				J Med Chem 35: 252-8 (1992) BindingDB Entry DOI: 10.7270/Q2X63Q54
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50444748 (Aminoquinuride) Show SMILES Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1 Show InChI InChI=1S/C21H20N6O/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	n/a	<3.00E+3	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for the induction of nonspecific myeloperoxidase (MPO) release				J Med Chem 35: 252-8 (1992) BindingDB Entry DOI: 10.7270/Q2X63Q54
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50229909 (CHEMBL83403) Show SMILES Cc1cc(NCc2ccccc2)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1 Show InChI InChI=1S/C26H22ClN3O/c1-18-15-25(28-17-19-7-3-2-4-8-19)22-16-21(12-13-24(22)29-18)30-26(31)14-11-20-9-5-6-10-23(20)27/h2-16H,17H2,1H3,(H,28,29)(H,30,31)/b14-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	15.00E+3	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for the induction of nonspecific myeloperoxidase (MPO) release				J Med Chem 35: 252-8 (1992) BindingDB Entry DOI: 10.7270/Q2X63Q54
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50008382 (Ac-Phe-Lys-AspMet-GIn-Leu-Gly-Arg-OH | CHEMBL23706...) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C45H72N12O13S/c1-25(2)21-33(39(64)51-24-36(60)52-32(44(69)70)14-10-19-50-45(48)49)56-41(66)30(15-16-35(47)59)54-42(67)31(17-20-71-4)55-43(68)34(23-37(61)62)57-40(65)29(13-8-9-18-46)53-38(63)28(26(3)58)22-27-11-6-5-7-12-27/h5-7,11-12,25,28-34H,8-10,13-24,46H2,1-4H3,(H2,47,59)(H,51,64)(H,52,60)(H,53,63)(H,54,67)(H,55,68)(H,56,66)(H,57,65)(H,61,62)(H,69,70)(H4,48,49,50)/t28-,29-,30-,31-,32-,33-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vivo potency of the compound was determined as the maximal lysosomal myeloperoxidase (MPO) release in PMNL assay				J Med Chem 35: 402-6 (1992) BindingDB Entry DOI: 10.7270/Q2HH6J1S
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50008381 (CHEMBL441393 | H-Ile-Ser-Phe-Lys-AspMet-GIn-Leu-Gl...) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C52H87N15O15S/c1-6-29(4)42(55)50(80)67-38(27-68)49(79)65-36(24-30-13-8-7-9-14-30)47(77)61-31(15-10-11-20-53)44(74)66-37(25-41(71)72)48(78)63-33(19-22-83-5)46(76)62-32(17-18-39(54)69)45(75)64-35(23-28(2)3)43(73)59-26-40(70)60-34(51(81)82)16-12-21-58-52(56)57/h7-9,13-14,28-29,31-38,42,68H,6,10-12,15-27,53,55H2,1-5H3,(H2,54,69)(H,59,73)(H,60,70)(H,61,77)(H,62,76)(H,63,78)(H,64,75)(H,65,79)(H,66,74)(H,67,80)(H,71,72)(H,81,82)(H4,56,57,58)/t29-,31-,32-,33-,34-,35-,36-,37-,38-,42-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vivo potency of the compound was determined as the maximal lysosomal myeloperoxidase (MPO) release in PMNL assay				J Med Chem 35: 402-6 (1992) BindingDB Entry DOI: 10.7270/Q2HH6J1S
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50008373 (CHEMBL439468 | H-Leu-Arg-Ala-Asn-Ile-Ser-Phe-Lys-A...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C71H121N23O20S/c1-9-38(6)56(94-66(110)49(32-53(75)97)89-57(101)39(7)83-60(104)43(20-15-26-80-70(76)77)85-58(102)41(73)29-36(2)3)68(112)93-51(35-95)67(111)91-48(31-40-17-11-10-12-18-40)64(108)86-42(19-13-14-25-72)61(105)92-50(33-55(99)100)65(109)88-45(24-28-115-8)63(107)87-44(22-23-52(74)96)62(106)90-47(30-37(4)5)59(103)82-34-54(98)84-46(69(113)114)21-16-27-81-71(78)79/h10-12,17-18,36-39,41-51,56,95H,9,13-16,19-35,72-73H2,1-8H3,(H2,74,96)(H2,75,97)(H,82,103)(H,83,104)(H,84,98)(H,85,102)(H,86,108)(H,87,107)(H,88,109)(H,89,101)(H,90,106)(H,91,111)(H,92,105)(H,93,112)(H,94,110)(H,99,100)(H,113,114)(H4,76,77,80)(H4,78,79,81)/t38-,39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,56-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vivo potency of the compound was determined as the maximal lysosomal myeloperoxidase (MPO) release in PMNL assay				J Med Chem 35: 402-6 (1992) BindingDB Entry DOI: 10.7270/Q2HH6J1S
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50008371 (CHEMBL127385 | H-Thi-Lys-AspMet-GIn-Leu-Gly-Arg-OH) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](N)Cc1cccs1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C41H69N13O12S2/c1-22(2)18-29(35(60)48-21-32(56)49-28(40(65)66)10-6-15-47-41(45)46)53-37(62)26(11-12-31(44)55)51-38(63)27(13-17-67-3)52-39(64)30(20-33(57)58)54-36(61)25(9-4-5-14-42)50-34(59)24(43)19-23-8-7-16-68-23/h7-8,16,22,24-30H,4-6,9-15,17-21,42-43H2,1-3H3,(H2,44,55)(H,48,60)(H,49,56)(H,50,59)(H,51,63)(H,52,64)(H,53,62)(H,54,61)(H,57,58)(H,65,66)(H4,45,46,47)/t24-,25+,26+,27+,28+,29+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vivo potency of the compound was determined as the maximal lysosomal myeloperoxidase (MPO) release in PMNL assay				J Med Chem 35: 402-6 (1992) BindingDB Entry DOI: 10.7270/Q2HH6J1S
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50008383 (CHEMBL408929 | H-Ala-Asn-Ile-Ser-Phe-Lys-AspMet-GI...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C59H98N18O18S/c1-7-31(4)47(77-55(91)40(26-44(63)80)72-48(84)32(5)61)57(93)76-42(29-78)56(92)74-39(25-33-14-9-8-10-15-33)53(89)69-34(16-11-12-21-60)50(86)75-41(27-46(82)83)54(90)71-36(20-23-96-6)52(88)70-35(18-19-43(62)79)51(87)73-38(24-30(2)3)49(85)67-28-45(81)68-37(58(94)95)17-13-22-66-59(64)65/h8-10,14-15,30-32,34-42,47,78H,7,11-13,16-29,60-61H2,1-6H3,(H2,62,79)(H2,63,80)(H,67,85)(H,68,81)(H,69,89)(H,70,88)(H,71,90)(H,72,84)(H,73,87)(H,74,92)(H,75,86)(H,76,93)(H,77,91)(H,82,83)(H,94,95)(H4,64,65,66)/t31-,32-,34-,35-,36-,37-,38-,39-,40-,41-,42-,47-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.30E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vivo potency of the compound was determined as the maximal lysosomal myeloperoxidase (MPO) release in PMNL assay				J Med Chem 35: 402-6 (1992) BindingDB Entry DOI: 10.7270/Q2HH6J1S
					More data for this Ligand-Target Pair