Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'murai' and Initial = 'y'   

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
AMP deaminase 2 (Homo sapiens)	BDBM50610224 (CHEMBL5269095) Show SMILES CC1(C)CN(C(N)=O)c2cccc(F)c2N1Cc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Mus musculus)	BDBM50610231 (CHEMBL5271711) Show SMILES CC1(C)CN(C(N)=O)c2ccc(F)c(F)c2N1Cc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610231 (CHEMBL5271711) Show SMILES CC1(C)CN(C(N)=O)c2ccc(F)c(F)c2N1Cc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610244 (CHEMBL5272816) Show SMILES CC1(C)CN(C(N)=O)c2ccc(F)c(F)c2N1Cc1ccc(COc2ccc(CO)cc2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Mus musculus)	BDBM50610244 (CHEMBL5272816) Show SMILES CC1(C)CN(C(N)=O)c2ccc(F)c(F)c2N1Cc1ccc(COc2ccc(CO)cc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610242 (CHEMBL5270167) Show SMILES CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccc(COc2ccccc2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610243 (CHEMBL5287644) Show SMILES CC1(C)CN(C(N)=O)c2ccc(F)c(F)c2N1Cc1ccc(COc2ccccc2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610237 (CHEMBL5287535) Show SMILES CC1(C)CN(C(N)=O)c2ccccc2N1Cc1cccc(OC(F)(F)F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610246 (CHEMBL5281489) Show SMILES CC(=O)Nc1ccc(OCc2ccc(CN3c4c(F)c(F)ccc4N(CC3(C)C)C(N)=O)cc2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610236 (CHEMBL5276735) Show SMILES Cc1ccc(CN2c3ccccc3N(CC2(C)C)C(N)=O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610228 (CHEMBL5284620) Show SMILES CC1(C)CN(C(N)=O)c2cccc(Cl)c2N1Cc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610234 (CHEMBL5289502) Show SMILES CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccc(Cl)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610233 (CHEMBL5271550) Show SMILES CC1(C)CN(C(N)=O)c2ccccc2N1Cc1cccc(Cl)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610245 (CHEMBL5281034) Show SMILES CC1(C)CN(C(N)=O)c2ccc(F)c(F)c2N1Cc1ccc(COc2ccc(cc2)C(N)=O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610226 (CHEMBL5266374) Show SMILES CC1(C)CN(C(N)=O)c2cc(F)ccc2N1Cc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610230 (CHEMBL5283087) Show SMILES CC1(C)CN(C(N)=O)c2cc(F)cc(F)c2N1Cc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610223 (CHEMBL5280447) Show SMILES CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610238 (CHEMBL5284666) Show SMILES CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccc(OC(F)(F)F)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610235 (CHEMBL5277889) Show SMILES Cc1cccc(CN2c3ccccc3N(CC2(C)C)C(N)=O)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610240 (CHEMBL5280490) Show SMILES CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccc(CCc2ccccc2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610227 (CHEMBL5284646) Show SMILES CC1(C)CN(C(N)=O)c2c(F)cccc2N1Cc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610239 (CHEMBL5282638) Show SMILES CC1(C)CN(C(N)=O)c2ccccc2N1Cc1cccc(CCc2ccccc2)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610241 (CHEMBL5290923) Show SMILES CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccc(OCc2ccccc2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
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Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50182486 (MALABARICONE B) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1 Show InChI InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Noncompetitive inhibition of SMS2 (unknown origin) stably expressed in mouse ZS cells using 5 to 50 uM C6-NBD-ceramide as substrate preincubated for ...				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
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Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50182487 (Malabaricone A) Show SMILES Oc1cccc(O)c1C(=O)CCCCCCCCc1ccccc1 Show InChI InChI=1S/C21H26O3/c22-18(21-19(23)15-10-16-20(21)24)14-9-4-2-1-3-6-11-17-12-7-5-8-13-17/h5,7-8,10,12-13,15-16,23-24H,1-4,6,9,11,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Noncompetitive inhibition of SMS2 (unknown origin) stably expressed in mouse ZS cells using 5 to 50 uM C6-NBD-ceramide as substrate preincubated for ...				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
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Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50182491 (CHEBI:69015 | Malabaricone C) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Noncompetitive inhibition of SMS2 (unknown origin) stably expressed in mouse ZS cells using 5 to 50 uM C6-NBD-ceramide as substrate preincubated for ...				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
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AMP deaminase 2 (Homo sapiens)	BDBM50610224 (CHEMBL5269095) Show SMILES CC1(C)CN(C(N)=O)c2cccc(F)c2N1Cc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610225 (CHEMBL5284837) Show SMILES CC1(C)CN(C(N)=O)c2ccc(F)cc2N1Cc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610237 (CHEMBL5287535) Show SMILES CC1(C)CN(C(N)=O)c2ccccc2N1Cc1cccc(OC(F)(F)F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610236 (CHEMBL5276735) Show SMILES Cc1ccc(CN2c3ccccc3N(CC2(C)C)C(N)=O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50242188 (6-(8'Z-pentadecenyl)-salicylicacid | 6-[8'(Z)-pent...) Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin)				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50182491 (CHEBI:69015 | Malabaricone C) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) stably expressed in mouse ZS cells using C6-NBD-ceramide as substrate preincubated for 30 mins followed by substr...				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
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Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50242188 (6-(8'Z-pentadecenyl)-salicylicacid | 6-[8'(Z)-pent...) Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of SMS1 (unknown origin)				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
					More data for this Ligand-Target Pair
AMP deaminase 2 (Homo sapiens)	BDBM50610228 (CHEMBL5284620) Show SMILES CC1(C)CN(C(N)=O)c2cccc(Cl)c2N1Cc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610234 (CHEMBL5289502) Show SMILES CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccc(Cl)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610231 (CHEMBL5271711) Show SMILES CC1(C)CN(C(N)=O)c2ccc(F)c(F)c2N1Cc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610233 (CHEMBL5271550) Show SMILES CC1(C)CN(C(N)=O)c2ccccc2N1Cc1cccc(Cl)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
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AMP deaminase 2 (Homo sapiens)	BDBM50610226 (CHEMBL5266374) Show SMILES CC1(C)CN(C(N)=O)c2cc(F)ccc2N1Cc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50182486 (MALABARICONE B) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1 Show InChI InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Noncompetitive inhibition of SMS1 (unknown origin) stably expressed in mouse ZS cells using 5 to 50 uM C6-NBD-ceramide as substrate preincubated for ...				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50182487 (Malabaricone A) Show SMILES Oc1cccc(O)c1C(=O)CCCCCCCCc1ccccc1 Show InChI InChI=1S/C21H26O3/c22-18(21-19(23)15-10-16-20(21)24)14-9-4-2-1-3-6-11-17-12-7-5-8-13-17/h5,7-8,10,12-13,15-16,23-24H,1-4,6,9,11,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Noncompetitive inhibition of SMS1 (unknown origin) stably expressed in mouse ZS cells using 5 to 50 uM C6-NBD-ceramide as substrate preincubated for ...				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50182491 (CHEBI:69015 | Malabaricone C) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Noncompetitive inhibition of SMS1 (unknown origin) stably expressed in mouse ZS cells using 5 to 50 uM C6-NBD-ceramide as substrate preincubated for ...				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
					More data for this Ligand-Target Pair
AMP deaminase 2 (Homo sapiens)	BDBM50610229 (CHEMBL5282210) Show SMILES Cc1cccc2N(CC(C)(C)N(Cc3ccccc3)c12)C(N)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
AMP deaminase 2 (Homo sapiens)	BDBM50610235 (CHEMBL5277889) Show SMILES Cc1cccc(CN2c3ccccc3N(CC2(C)C)C(N)=O)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50182486 (MALABARICONE B) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1 Show InChI InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) stably expressed in mouse ZS cells using C6-NBD-ceramide as substrate preincubated for 30 mins followed by substr...				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
					More data for this Ligand-Target Pair
AMP deaminase 2 (Homo sapiens)	BDBM50610242 (CHEMBL5270167) Show SMILES CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccc(COc2ccccc2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
AMP deaminase 2 (Homo sapiens)	BDBM50610239 (CHEMBL5282638) Show SMILES CC1(C)CN(C(N)=O)c2ccccc2N1Cc1cccc(CCc2ccccc2)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50182491 (CHEBI:69015 | Malabaricone C) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of SMS1 (unknown origin) stably expressed in mouse ZS cells using C6-NBD-ceramide as substrate preincubated for 30 mins followed by substr...				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
					More data for this Ligand-Target Pair
AMP deaminase 2 (Homo sapiens)	BDBM50610223 (CHEMBL5280447) Show SMILES CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
AMP deaminase 2 (Homo sapiens)	BDBM50610241 (CHEMBL5290923) Show SMILES CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccc(OCc2ccccc2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phosphatidylcholine:ceramide cholinephosphotransferase 1 (Homo sapiens (Human))	BDBM50182486 (MALABARICONE B) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1 Show InChI InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of SMS1 (unknown origin) stably expressed in mouse ZS cells using C6-NBD-ceramide as substrate preincubated for 30 mins followed by substr...				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
					More data for this Ligand-Target Pair

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