Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'wring' and Initial = 's'   

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
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50323721 ((3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-(2-(...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C66H120N12O13S/c1-27-29-30-42(13)53(79)52-57(83)69-45(28-2)59(85)78(26)65(92-32-31-71(18)19)64(90)75(23)49(36-66(16,17)91)56(82)70-50(40(9)10)62(88)72(20)46(33-37(3)4)55(81)67-43(14)54(80)68-44(15)58(84)73(21)47(34-38(5)6)60(86)74(22)48(35-39(7)8)61(87)76(24)51(41(11)12)63(89)77(52)25/h27,29,37-53,65,79,91H,28,30-36H2,1-26H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b29-27+/t42-,43+,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-,65+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. Curated by ChEMBL					Assay Description Inhibition of calcineurin phosphatase activity of CyPA				Antimicrob Agents Chemother 54: 660-72 (2010) Article DOI: 10.1128/AAC.00660-09 BindingDB Entry DOI: 10.7270/Q2V40VDG
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	2.64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. Curated by ChEMBL					Assay Description Inhibition of calcineurin phosphatase activity of CyPA				Antimicrob Agents Chemother 54: 660-72 (2010) Article DOI: 10.1128/AAC.00660-09 BindingDB Entry DOI: 10.7270/Q2V40VDG
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 after 30 mins				Antimicrob Agents Chemother 54: 660-72 (2010) Article DOI: 10.1128/AAC.00660-09 BindingDB Entry DOI: 10.7270/Q2V40VDG
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254958 (CHEMBL4075752) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2ccc(cc2)C#N)nc(N)n1 Show InChI InChI=1S/C18H14ClN5/c1-11-6-17(24-18(21)22-11)23-16-8-14(7-15(19)9-16)13-4-2-12(10-20)3-5-13/h2-9H,1H3,(H3,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C19 after 30 mins				Antimicrob Agents Chemother 54: 660-72 (2010) Article DOI: 10.1128/AAC.00660-09 BindingDB Entry DOI: 10.7270/Q2V40VDG
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50323721 ((3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-(2-(...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C66H120N12O13S/c1-27-29-30-42(13)53(79)52-57(83)69-45(28-2)59(85)78(26)65(92-32-31-71(18)19)64(90)75(23)49(36-66(16,17)91)56(82)70-50(40(9)10)62(88)72(20)46(33-37(3)4)55(81)67-43(14)54(80)68-44(15)58(84)73(21)47(34-38(5)6)60(86)74(22)48(35-39(7)8)61(87)76(24)51(41(11)12)63(89)77(52)25/h27,29,37-53,65,79,91H,28,30-36H2,1-26H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b29-27+/t42-,43+,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-,65+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C19 after 30 mins				Antimicrob Agents Chemother 54: 660-72 (2010) Article DOI: 10.1128/AAC.00660-09 BindingDB Entry DOI: 10.7270/Q2V40VDG
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50323721 ((3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-(2-(...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C66H120N12O13S/c1-27-29-30-42(13)53(79)52-57(83)69-45(28-2)59(85)78(26)65(92-32-31-71(18)19)64(90)75(23)49(36-66(16,17)91)56(82)70-50(40(9)10)62(88)72(20)46(33-37(3)4)55(81)67-43(14)54(80)68-44(15)58(84)73(21)47(34-38(5)6)60(86)74(22)48(35-39(7)8)61(87)76(24)51(41(11)12)63(89)77(52)25/h27,29,37-53,65,79,91H,28,30-36H2,1-26H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b29-27+/t42-,43+,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-,65+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9 after 30 mins				Antimicrob Agents Chemother 54: 660-72 (2010) Article DOI: 10.1128/AAC.00660-09 BindingDB Entry DOI: 10.7270/Q2V40VDG
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254815 (CHEMBL4104060) Show SMILES CC(=O)c1ccc(cc1)-c1cc(Cl)cc(Nc2cc(C)nc(N)n2)c1 Show InChI InChI=1S/C19H17ClN4O/c1-11-7-18(24-19(21)22-11)23-17-9-15(8-16(20)10-17)14-5-3-13(4-6-14)12(2)25/h3-10H,1-2H3,(H3,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255043 (CHEMBL4073190) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2ccc3OCOc3c2)nc(N)n1 Show InChI InChI=1S/C18H15ClN4O2/c1-10-4-17(23-18(20)21-10)22-14-6-12(5-13(19)8-14)11-2-3-15-16(7-11)25-9-24-15/h2-8H,9H2,1H3,(H3,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255044 (CHEMBL4077070) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2cncs2)nc(N)n1 Show InChI InChI=1S/C14H12ClN5S/c1-8-2-13(20-14(16)18-8)19-11-4-9(3-10(15)5-11)12-6-17-7-21-12/h2-7H,1H3,(H3,16,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254902 (CHEMBL4079242) Show SMILES Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(n1)-c1ccccc1 Show InChI InChI=1S/C16H12Cl2N4/c17-11-6-12(18)8-13(7-11)20-15-9-14(21-16(19)22-15)10-4-2-1-3-5-10/h1-9H,(H3,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255018 (CHEMBL4079196) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2ccc(cc2)C(F)(F)F)nc(N)n1 Show InChI InChI=1S/C18H14ClF3N4/c1-10-6-16(26-17(23)24-10)25-15-8-12(7-14(19)9-15)11-2-4-13(5-3-11)18(20,21)22/h2-9H,1H3,(H3,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254905 (CHEMBL4094809) Show SMILES Nc1nc2CCCc2c(Nc2cc(Cl)cc(Cl)c2)n1 Show InChI InChI=1S/C13H12Cl2N4/c14-7-4-8(15)6-9(5-7)17-12-10-2-1-3-11(10)18-13(16)19-12/h4-6H,1-3H2,(H3,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254955 (CHEMBL4094762) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2ccc(F)cc2)nc(N)n1 Show InChI InChI=1S/C17H14ClFN4/c1-10-6-16(23-17(20)21-10)22-15-8-12(7-13(18)9-15)11-2-4-14(19)5-3-11/h2-9H,1H3,(H3,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9 after 30 mins				Antimicrob Agents Chemother 54: 660-72 (2010) Article DOI: 10.1128/AAC.00660-09 BindingDB Entry DOI: 10.7270/Q2V40VDG
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254826 (CHEMBL4090615) Show SMILES Cc1cc(Nc2cc(Br)cc(OCC(F)(F)F)c2)nc(N)n1 Show InChI InChI=1S/C13H12BrF3N4O/c1-7-2-11(21-12(18)19-7)20-9-3-8(14)4-10(5-9)22-6-13(15,16)17/h2-5H,6H2,1H3,(H3,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50323721 ((3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-(2-(...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C66H120N12O13S/c1-27-29-30-42(13)53(79)52-57(83)69-45(28-2)59(85)78(26)65(92-32-31-71(18)19)64(90)75(23)49(36-66(16,17)91)56(82)70-50(40(9)10)62(88)72(20)46(33-37(3)4)55(81)67-43(14)54(80)68-44(15)58(84)73(21)47(34-38(5)6)60(86)74(22)48(35-39(7)8)61(87)76(24)51(41(11)12)63(89)77(52)25/h27,29,37-53,65,79,91H,28,30-36H2,1-26H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b29-27+/t42-,43+,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-,65+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 after 30 mins				Antimicrob Agents Chemother 54: 660-72 (2010) Article DOI: 10.1128/AAC.00660-09 BindingDB Entry DOI: 10.7270/Q2V40VDG
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255071 (CHEMBL4098044) Show SMILES CNc1nc(C)cc(Nc2cc(Cl)cc(Cl)c2)n1 Show InChI InChI=1S/C12H12Cl2N4/c1-7-3-11(18-12(15-2)16-7)17-10-5-8(13)4-9(14)6-10/h3-6H,1-2H3,(H2,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255077 (CHEMBL4097036) Show SMILES Cc1cc(Nc2cc(cc(c2)C(C)(C)C)C(C)(C)C)nc(N)n1 Show InChI InChI=1S/C19H28N4/c1-12-8-16(23-17(20)21-12)22-15-10-13(18(2,3)4)9-14(11-15)19(5,6)7/h8-11H,1-7H3,(H3,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255078 (CHEMBL4060869) Show SMILES Cc1cc(Nc2cc(Cl)c(Cl)c(Cl)c2)nc(N)n1 Show InChI InChI=1S/C11H9Cl3N4/c1-5-2-9(18-11(15)16-5)17-6-3-7(12)10(14)8(13)4-6/h2-4H,1H3,(H3,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254860 (CHEMBL4089063) Show SMILES Cc1cc(Nc2cc(Cl)c(C)c(Cl)c2)nc(N)n1 Show InChI InChI=1S/C12H12Cl2N4/c1-6-3-11(18-12(15)16-6)17-8-4-9(13)7(2)10(14)5-8/h3-5H,1-2H3,(H3,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255017 (CHEMBL4101315) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2ccc(Cl)cc2)nc(N)n1 Show InChI InChI=1S/C17H14Cl2N4/c1-10-6-16(23-17(20)21-10)22-15-8-12(7-14(19)9-15)11-2-4-13(18)5-3-11/h2-9H,1H3,(H3,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254873 (CHEMBL4091216) Show SMILES Cc1cc(Nc2cc(Cl)c(F)c(Cl)c2F)nc(N)n1 Show InChI InChI=1S/C11H8Cl2F2N4/c1-4-2-7(19-11(16)17-4)18-6-3-5(12)9(14)8(13)10(6)15/h2-3H,1H3,(H3,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254957 (CHEMBL4097210) Show SMILES Cc1ccc(cc1)-c1cc(Cl)cc(Nc2cc(C)nc(N)n2)c1 Show InChI InChI=1S/C18H17ClN4/c1-11-3-5-13(6-4-11)14-8-15(19)10-16(9-14)22-17-7-12(2)21-18(20)23-17/h3-10H,1-2H3,(H3,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255009 (CHEMBL4075494) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2cc3ccccc3o2)nc(N)n1 Show InChI InChI=1S/C19H15ClN4O/c1-11-6-18(24-19(21)22-11)23-15-8-13(7-14(20)10-15)17-9-12-4-2-3-5-16(12)25-17/h2-10H,1H3,(H3,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254862 (CHEMBL4085397) Show SMILES Cc1cc(Nc2cc(Cl)c(OC(F)F)c(Cl)c2)nc(N)n1 Show InChI InChI=1S/C12H10Cl2F2N4O/c1-5-2-9(20-12(17)18-5)19-6-3-7(13)10(8(14)4-6)21-11(15)16/h2-4,11H,1H3,(H3,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50323721 ((3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-(2-(...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C66H120N12O13S/c1-27-29-30-42(13)53(79)52-57(83)69-45(28-2)59(85)78(26)65(92-32-31-71(18)19)64(90)75(23)49(36-66(16,17)91)56(82)70-50(40(9)10)62(88)72(20)46(33-37(3)4)55(81)67-43(14)54(80)68-44(15)58(84)73(21)47(34-38(5)6)60(86)74(22)48(35-39(7)8)61(87)76(24)51(41(11)12)63(89)77(52)25/h27,29,37-53,65,79,91H,28,30-36H2,1-26H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b29-27+/t42-,43+,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-,65+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2 after 30 mins				Antimicrob Agents Chemother 54: 660-72 (2010) Article DOI: 10.1128/AAC.00660-09 BindingDB Entry DOI: 10.7270/Q2V40VDG
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50323721 ((3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-(2-(...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C66H120N12O13S/c1-27-29-30-42(13)53(79)52-57(83)69-45(28-2)59(85)78(26)65(92-32-31-71(18)19)64(90)75(23)49(36-66(16,17)91)56(82)70-50(40(9)10)62(88)72(20)46(33-37(3)4)55(81)67-43(14)54(80)68-44(15)58(84)73(21)47(34-38(5)6)60(86)74(22)48(35-39(7)8)61(87)76(24)51(41(11)12)63(89)77(52)25/h27,29,37-53,65,79,91H,28,30-36H2,1-26H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b29-27+/t42-,43+,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-,65+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 after 30 mins				Antimicrob Agents Chemother 54: 660-72 (2010) Article DOI: 10.1128/AAC.00660-09 BindingDB Entry DOI: 10.7270/Q2V40VDG
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2 after 30 mins				Antimicrob Agents Chemother 54: 660-72 (2010) Article DOI: 10.1128/AAC.00660-09 BindingDB Entry DOI: 10.7270/Q2V40VDG
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 after 30 mins				Antimicrob Agents Chemother 54: 660-72 (2010) Article DOI: 10.1128/AAC.00660-09 BindingDB Entry DOI: 10.7270/Q2V40VDG
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254859 (CHEMBL4069538) Show SMILES Cc1cc(Nc2cc(Cl)c(F)c(Cl)c2)nc(N)n1 Show InChI InChI=1S/C11H9Cl2FN4/c1-5-2-9(18-11(15)16-5)17-6-3-7(12)10(14)8(13)4-6/h2-4H,1H3,(H3,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254982 (CHEMBL4075596) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2ccccc2Cl)nc(N)n1 Show InChI InChI=1S/C17H14Cl2N4/c1-10-6-16(23-17(20)21-10)22-13-8-11(7-12(18)9-13)14-4-2-3-5-15(14)19/h2-9H,1H3,(H3,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254983 (CHEMBL4104159) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2cccc(Cl)c2)nc(N)n1 Show InChI InChI=1S/C17H14Cl2N4/c1-10-5-16(23-17(20)21-10)22-15-8-12(7-14(19)9-15)11-3-2-4-13(18)6-11/h2-9H,1H3,(H3,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254984 (CHEMBL4076960) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2ccc(Cl)c(Cl)c2)nc(N)n1 Show InChI InChI=1S/C17H13Cl3N4/c1-9-4-16(24-17(21)22-9)23-13-6-11(5-12(18)8-13)10-2-3-14(19)15(20)7-10/h2-8H,1H3,(H3,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254985 (CHEMBL4096838) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2ccc(Cl)c(c2)C(F)(F)F)nc(N)n1 Show InChI InChI=1S/C18H13Cl2F3N4/c1-9-4-16(27-17(24)25-9)26-13-6-11(5-12(19)8-13)10-2-3-15(20)14(7-10)18(21,22)23/h2-8H,1H3,(H3,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254988 (CHEMBL4094087) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)nc(N)n1 Show InChI InChI=1S/C19H13ClF6N4/c1-9-2-16(30-17(27)28-9)29-15-6-11(5-14(20)8-15)10-3-12(18(21,22)23)7-13(4-10)19(24,25)26/h2-8H,1H3,(H3,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254989 (CHEMBL4076249) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2cc3ccccc3c3ccccc23)nc(N)n1 Show InChI InChI=1S/C25H19ClN4/c1-15-10-24(30-25(27)28-15)29-19-12-17(11-18(26)14-19)23-13-16-6-2-3-7-20(16)21-8-4-5-9-22(21)23/h2-14H,1H3,(H3,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254990 (CHEMBL4077575) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2ccc3nonc3c2)nc(N)n1 Show InChI InChI=1S/C17H13ClN6O/c1-9-4-16(22-17(19)20-9)21-13-6-11(5-12(18)8-13)10-2-3-14-15(7-10)24-25-23-14/h2-8H,1H3,(H3,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255010 (CHEMBL4066991) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2cc3ccccc3s2)nc(N)n1 Show InChI InChI=1S/C19H15ClN4S/c1-11-6-18(24-19(21)22-11)23-15-8-13(7-14(20)10-15)17-9-12-4-2-3-5-16(12)25-17/h2-10H,1H3,(H3,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255011 (CHEMBL4100524) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2cnn(C)c2)nc(N)n1 Show InChI InChI=1S/C15H15ClN6/c1-9-3-14(21-15(17)19-9)20-13-5-10(4-12(16)6-13)11-7-18-22(2)8-11/h3-8H,1-2H3,(H3,17,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255014 (CHEMBL4082507) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2cncnc2)nc(N)n1 Show InChI InChI=1S/C15H13ClN6/c1-9-2-14(22-15(17)20-9)21-13-4-10(3-12(16)5-13)11-6-18-8-19-7-11/h2-8H,1H3,(H3,17,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255015 (CHEMBL4060875) Show SMILES Cc1cc(Nc2cc(ccc2Cl)C(F)(F)F)nc(N)n1 Show InChI InChI=1S/C12H10ClF3N4/c1-6-4-10(20-11(17)18-6)19-9-5-7(12(14,15)16)2-3-8(9)13/h2-5H,1H3,(H3,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255016 (CHEMBL4078225) Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)nc(N)n1 Show InChI InChI=1S/C12H11F3N4/c1-7-6-10(19-11(16)17-7)18-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H3,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254816 (CHEMBL4066551) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2ccc3ccccc3c2)nc(N)n1 Show InChI InChI=1S/C21H17ClN4/c1-13-8-20(26-21(23)24-13)25-19-11-17(10-18(22)12-19)16-7-6-14-4-2-3-5-15(14)9-16/h2-12H,1H3,(H3,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254817 (CHEMBL4103347) Show SMILES Cc1cc(N)cc(Nc2cc(Cl)cc(Cl)c2)n1 Show InChI InChI=1S/C12H11Cl2N3/c1-7-2-10(15)6-12(16-7)17-11-4-8(13)3-9(14)5-11/h2-6H,1H3,(H3,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254818 (CHEMBL4070203) Show SMILES Cc1cc(Nc2cc(Br)cc(c2)S(F)(F)(F)(F)F)nc(N)n1 Show InChI InChI=1S/C11H10BrF5N4S/c1-6-2-10(21-11(18)19-6)20-8-3-7(12)4-9(5-8)22(13,14,15,16)17/h2-5H,1H3,(H3,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254819 (CHEMBL4104760) Show SMILES Cc1cc(Nc2cccc(Cl)c2)nc(N)n1 Show InChI InChI=1S/C11H11ClN4/c1-7-5-10(16-11(13)14-7)15-9-4-2-3-8(12)6-9/h2-6H,1H3,(H3,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254820 (CHEMBL4099923) Show SMILES CN(C)c1c(Cl)cc(Nc2cc(C)nc(N)n2)cc1Cl Show InChI InChI=1S/C13H15Cl2N5/c1-7-4-11(19-13(16)17-7)18-8-5-9(14)12(20(2)3)10(15)6-8/h4-6H,1-3H3,(H3,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50254821 (CHEMBL4070829) Show SMILES Cc1cc(Nc2ccc(Cl)cc2C)nc(N)n1 Show InChI InChI=1S/C12H13ClN4/c1-7-5-9(13)3-4-10(7)16-11-6-8(2)15-12(14)17-11/h3-6H,1-2H3,(H3,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair
S-adenosylmethionine decarboxylase proenzyme (Homo sapiens (Human))	BDBM50255019 (CHEMBL4102144) Show SMILES CN(C)c1ccc(cc1)-c1cc(Cl)cc(Nc2cc(C)nc(N)n2)c1 Show InChI InChI=1S/C19H20ClN5/c1-12-8-18(24-19(21)22-12)23-16-10-14(9-15(20)11-16)13-4-6-17(7-5-13)25(2)3/h4-11H,1-3H3,(H3,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
					More data for this Ligand-Target Pair

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