Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'mackerell, jr.' and Initial = 'a'   

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
Nicotinate-nucleotide adenylyltransferase (Escherichia coli)	BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1 Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	7.5	25
University of Maryland, Baltimore; The Board of Regents of the University of Texas System; Sanford-Burnham Medical Research Institute US Patent					Assay Description A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly,...				US Patent US8785499 (2014) BindingDB Entry DOI: 10.7270/Q2833QPX
					More data for this Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (Escherichia coli)	BDBM81359 (NadD inhibitor 1_03 | US8785499, 1_03) Show SMILES Brc1ccc(NC(=O)CCCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)cc1 Show InChI InChI=1S/C26H22BrN3O2/c27-20-12-14-21(15-13-20)29-25(31)10-5-11-26(32)30-28-17-24-22-8-3-1-6-18(22)16-19-7-2-4-9-23(19)24/h1-4,6-9,12-17H,5,10-11H2,(H,29,31)(H,30,32)/b28-17+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	7.5	25
University of Maryland, Baltimore; The Board of Regents of the University of Texas System; Sanford-Burnham Medical Research Institute US Patent					Assay Description A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly,...				US Patent US8785499 (2014) BindingDB Entry DOI: 10.7270/Q2833QPX
					More data for this Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (Escherichia coli)	BDBM81357 (NadD inhibitor 3_05 | US8785499, 3_05) Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cc(Cl)ccc1Cl Show InChI InChI=1S/C18H11Cl2N3OS2/c19-9-3-5-11(20)13(8-9)22-17(24)16-15(21)10-4-6-12(23-18(10)26-16)14-2-1-7-25-14/h1-8H,21H2,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	7.5	25
University of Maryland, Baltimore; The Board of Regents of the University of Texas System; Sanford-Burnham Medical Research Institute US Patent					Assay Description A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly,...				US Patent US8785499 (2014) BindingDB Entry DOI: 10.7270/Q2833QPX
					More data for this Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (Escherichia coli)	BDBM81358 (NadD inhibitor 3_15 | US8785499, 3_15) Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1ccc(Cl)cc1F Show InChI InChI=1S/C18H11ClFN3OS2/c19-9-3-5-12(11(20)8-9)22-17(24)16-15(21)10-4-6-13(23-18(10)26-16)14-2-1-7-25-14/h1-8H,21H2,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	7.5	25
University of Maryland, Baltimore; The Board of Regents of the University of Texas System; Sanford-Burnham Medical Research Institute US Patent					Assay Description A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly,...				US Patent US8785499 (2014) BindingDB Entry DOI: 10.7270/Q2833QPX
					More data for this Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (Escherichia coli)	BDBM50318653 (3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...) Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cccc(F)c1 Show InChI InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	7.5	25
University of Maryland, Baltimore; The Board of Regents of the University of Texas System; Sanford-Burnham Medical Research Institute US Patent					Assay Description A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly,...				US Patent US8785499 (2014) BindingDB Entry DOI: 10.7270/Q2833QPX
					More data for this Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (Escherichia coli)	BDBM81360 (NadD inhibitor 3_17 | US8785499, 3_17) Show SMILES Nc1c(sc2nc(ccc12)-c1ccncc1)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C19H13ClN4OS/c20-12-2-1-3-13(10-12)23-18(25)17-16(21)14-4-5-15(24-19(14)26-17)11-6-8-22-9-7-11/h1-10H,21H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	7.5	25
University of Maryland, Baltimore; The Board of Regents of the University of Texas System; Sanford-Burnham Medical Research Institute US Patent					Assay Description A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly,...				US Patent US8785499 (2014) BindingDB Entry DOI: 10.7270/Q2833QPX
					More data for this Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (Escherichia coli)	BDBM81362 (NadD inhibitor 15_11 | US8785499, 15_11) Show SMILES COC(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:11.12| Show InChI InChI=1S/C17H14N2O3/c1-22-17(21)11-6-8-12(9-7-11)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,14H,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.91E+5	n/a	n/a	n/a	n/a	7.5	25
University of Maryland, Baltimore; The Board of Regents of the University of Texas System; Sanford-Burnham Medical Research Institute US Patent					Assay Description A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly,...				US Patent US8785499 (2014) BindingDB Entry DOI: 10.7270/Q2833QPX
					More data for this Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (Escherichia coli)	BDBM81361 (NadD inhibitor 3_23 | US8785499, 3_23) Show SMILES Nc1c(sc2nc(ccc12)-c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1Cl Show InChI InChI=1S/C20H12ClF2N3OS/c21-14-9-12(23)5-7-16(14)25-19(27)18-17(24)13-6-8-15(26-20(13)28-18)10-1-3-11(22)4-2-10/h1-9H,24H2,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	7.5	25
University of Maryland, Baltimore; The Board of Regents of the University of Texas System; Sanford-Burnham Medical Research Institute US Patent					Assay Description A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly,...				US Patent US8785499 (2014) BindingDB Entry DOI: 10.7270/Q2833QPX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [D319N] (Mus musculus (mouse))	BDBM176672 (US9115122, 76) Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCN)C2=O)cc1 Show InChI InChI=1S/C14H16N2O2S2/c1-2-18-11-5-3-10(4-6-11)9-12-13(17)16(8-7-15)14(19)20-12/h3-6,9H,2,7-8,15H2,1H3/b12-9-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [D319N] (Mus musculus (mouse))	BDBM176673 (US9115122, 76.2) Show SMILES NCCN1C(=S)S\C(=C/C=C/c2ccccc2)C1=O Show InChI InChI=1S/C14H14N2OS2/c15-9-10-16-13(17)12(19-14(16)18)8-4-7-11-5-2-1-3-6-11/h1-8H,9-10,15H2/b7-4+,12-8-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [D319N] (Mus musculus (mouse))	BDBM176674 (US9115122, 76.3) Show SMILES NCCN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O Show InChI InChI=1S/C13H12N2O3S2/c14-3-4-15-12(16)11(20-13(15)19)6-8-1-2-9-10(5-8)18-7-17-9/h1-2,5-6H,3-4,7,14H2/b11-6-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [D319N] (Mus musculus (mouse))	BDBM176675 (US9115122, 76.4) Show SMILES COc1ccc(\C=C2/SC(=S)N(CCN)C2=O)cc1OC Show InChI InChI=1S/C14H16N2O3S2/c1-18-10-4-3-9(7-11(10)19-2)8-12-13(17)16(6-5-15)14(20)21-12/h3-4,7-8H,5-6,15H2,1-2H3/b12-8-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [T157A,D319N] (Mus musculus (mouse))	BDBM176672 (US9115122, 76) Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCN)C2=O)cc1 Show InChI InChI=1S/C14H16N2O2S2/c1-2-18-11-5-3-10(4-6-11)9-12-13(17)16(8-7-15)14(19)20-12/h3-6,9H,2,7-8,15H2,1H3/b12-9-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [T157A,D319N] (Mus musculus (mouse))	BDBM176673 (US9115122, 76.2) Show SMILES NCCN1C(=S)S\C(=C/C=C/c2ccccc2)C1=O Show InChI InChI=1S/C14H14N2OS2/c15-9-10-16-13(17)12(19-14(16)18)8-4-7-11-5-2-1-3-6-11/h1-8H,9-10,15H2/b7-4+,12-8-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [T157A,D319N] (Mus musculus (mouse))	BDBM176674 (US9115122, 76.3) Show SMILES NCCN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O Show InChI InChI=1S/C13H12N2O3S2/c14-3-4-15-12(16)11(20-13(15)19)6-8-1-2-9-10(5-8)18-7-17-9/h1-2,5-6H,3-4,7,14H2/b11-6-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM176679 (US9115122, SS-1-019) Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNc3nc(C)nc(Cl)n3)C2=O)cc1 Show InChI InChI=1S/C18H18ClN5O2S2/c1-3-26-13-6-4-12(5-7-13)10-14-15(25)24(18(27)28-14)9-8-20-17-22-11(2)21-16(19)23-17/h4-7,10H,3,8-9H2,1-2H3,(H,20,21,22,23)/b14-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM176672 (US9115122, 76) Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCN)C2=O)cc1 Show InChI InChI=1S/C14H16N2O2S2/c1-2-18-11-5-3-10(4-6-11)9-12-13(17)16(8-7-15)14(19)20-12/h3-6,9H,2,7-8,15H2,1H3/b12-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM176674 (US9115122, 76.3) Show SMILES NCCN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O Show InChI InChI=1S/C13H12N2O3S2/c14-3-4-15-12(16)11(20-13(15)19)6-8-1-2-9-10(5-8)18-7-17-9/h1-2,5-6H,3-4,7,14H2/b11-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [L114A] (Mus musculus (mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [Y191A] (Mus musculus (mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [R275A] (Mus musculus (mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [L265A] (Mus musculus (mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [L232A] (Mus musculus (mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [L235A] (Mus musculus (mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [L198A,L232A] (Mus musculus (mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [L198A,L235A] (Mus musculus (mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM176677 (US9115122, SF-2-062) Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNCc3ccc(cc3)C(O)=O)C2=O)cc1 Show InChI InChI=1S/C22H22N2O4S2/c1-2-28-18-9-5-15(6-10-18)13-19-20(25)24(22(29)30-19)12-11-23-14-16-3-7-17(8-4-16)21(26)27/h3-10,13,23H,2,11-12,14H2,1H3,(H,26,27)/b19-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM176678 (US9115122, SF-2-054) Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNc3nc(Cl)nc(Cl)n3)C2=O)cc1 Show InChI InChI=1S/C17H15Cl2N5O2S2/c1-2-26-11-5-3-10(4-6-11)9-12-13(25)24(17(27)28-12)8-7-20-16-22-14(18)21-15(19)23-16/h3-6,9H,2,7-8H2,1H3,(H,20,21,22,23)/b12-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM176679 (US9115122, SS-1-019) Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNc3nc(C)nc(Cl)n3)C2=O)cc1 Show InChI InChI=1S/C18H18ClN5O2S2/c1-3-26-13-6-4-12(5-7-13)10-14-15(25)24(18(27)28-14)9-8-20-17-22-11(2)21-16(19)23-17/h4-7,10H,3,8-9H2,1-2H3,(H,20,21,22,23)/b14-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM176677 (US9115122, SF-2-062) Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNCc3ccc(cc3)C(O)=O)C2=O)cc1 Show InChI InChI=1S/C22H22N2O4S2/c1-2-28-18-9-5-15(6-10-18)13-19-20(25)24(22(29)30-19)12-11-23-14-16-3-7-17(8-4-16)21(26)27/h3-10,13,23H,2,11-12,14H2,1H3,(H,26,27)/b19-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM176678 (US9115122, SF-2-054) Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNc3nc(Cl)nc(Cl)n3)C2=O)cc1 Show InChI InChI=1S/C17H15Cl2N5O2S2/c1-2-26-11-5-3-10(4-6-11)9-12-13(25)24(17(27)28-12)8-7-20-16-22-14(18)21-15(19)23-16/h3-6,9H,2,7-8H2,1H3,(H,20,21,22,23)/b12-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM176677 (US9115122, SF-2-062) Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNCc3ccc(cc3)C(O)=O)C2=O)cc1 Show InChI InChI=1S/C22H22N2O4S2/c1-2-28-18-9-5-15(6-10-18)13-19-20(25)24(22(29)30-19)12-11-23-14-16-3-7-17(8-4-16)21(26)27/h3-10,13,23H,2,11-12,14H2,1H3,(H,26,27)/b19-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM176678 (US9115122, SF-2-054) Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNc3nc(Cl)nc(Cl)n3)C2=O)cc1 Show InChI InChI=1S/C17H15Cl2N5O2S2/c1-2-26-11-5-3-10(4-6-11)9-12-13(25)24(17(27)28-12)8-7-20-16-22-14(18)21-15(19)23-16/h3-6,9H,2,7-8H2,1H3,(H,20,21,22,23)/b12-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM176677 (US9115122, SF-2-062) Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNCc3ccc(cc3)C(O)=O)C2=O)cc1 Show InChI InChI=1S/C22H22N2O4S2/c1-2-28-18-9-5-15(6-10-18)13-19-20(25)24(22(29)30-19)12-11-23-14-16-3-7-17(8-4-16)21(26)27/h3-10,13,23H,2,11-12,14H2,1H3,(H,26,27)/b19-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM176678 (US9115122, SF-2-054) Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNc3nc(Cl)nc(Cl)n3)C2=O)cc1 Show InChI InChI=1S/C17H15Cl2N5O2S2/c1-2-26-11-5-3-10(4-6-11)9-12-13(25)24(17(27)28-12)8-7-20-16-22-14(18)21-15(19)23-16/h3-6,9H,2,7-8H2,1H3,(H,20,21,22,23)/b12-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM176677 (US9115122, SF-2-062) Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNCc3ccc(cc3)C(O)=O)C2=O)cc1 Show InChI InChI=1S/C22H22N2O4S2/c1-2-28-18-9-5-15(6-10-18)13-19-20(25)24(22(29)30-19)12-11-23-14-16-3-7-17(8-4-16)21(26)27/h3-10,13,23H,2,11-12,14H2,1H3,(H,26,27)/b19-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM176678 (US9115122, SF-2-054) Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCNc3nc(Cl)nc(Cl)n3)C2=O)cc1 Show InChI InChI=1S/C17H15Cl2N5O2S2/c1-2-26-11-5-3-10(4-6-11)9-12-13(25)24(17(27)28-12)8-7-20-16-22-14(18)21-15(19)23-16/h3-6,9H,2,7-8H2,1H3,(H,20,21,22,23)/b12-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [T157A] (Mus musculus (Mouse))	BDBM176675 (US9115122, 76.4) Show SMILES COc1ccc(\C=C2/SC(=S)N(CCN)C2=O)cc1OC Show InChI InChI=1S/C14H16N2O3S2/c1-18-10-4-3-9(7-11(10)19-2)8-12-13(17)16(6-5-15)14(20)21-12/h3-4,7-8H,5-6,15H2,1-2H3/b12-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [T157A] (Mus musculus (Mouse))	BDBM176674 (US9115122, 76.3) Show SMILES NCCN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O Show InChI InChI=1S/C13H12N2O3S2/c14-3-4-15-12(16)11(20-13(15)19)6-8-1-2-9-10(5-8)18-7-17-9/h1-2,5-6H,3-4,7,14H2/b11-6-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [T157A] (Mus musculus (Mouse))	BDBM176673 (US9115122, 76.2) Show SMILES NCCN1C(=S)S\C(=C/C=C/c2ccccc2)C1=O Show InChI InChI=1S/C14H14N2OS2/c15-9-10-16-13(17)12(19-14(16)18)8-4-7-11-5-2-1-3-6-11/h1-8H,9-10,15H2/b7-4+,12-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [T157A] (Mus musculus (Mouse))	BDBM176672 (US9115122, 76) Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCN)C2=O)cc1 Show InChI InChI=1S/C14H16N2O2S2/c1-2-18-11-5-3-10(4-6-11)9-12-13(17)16(8-7-15)14(19)20-12/h3-6,9H,2,7-8,15H2,1H3/b12-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM176675 (US9115122, 76.4) Show SMILES COc1ccc(\C=C2/SC(=S)N(CCN)C2=O)cc1OC Show InChI InChI=1S/C14H16N2O3S2/c1-18-10-4-3-9(7-11(10)19-2)8-12-13(17)16(6-5-15)14(20)21-12/h3-4,7-8H,5-6,15H2,1-2H3/b12-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM176674 (US9115122, 76.3) Show SMILES NCCN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O Show InChI InChI=1S/C13H12N2O3S2/c14-3-4-15-12(16)11(20-13(15)19)6-8-1-2-9-10(5-8)18-7-17-9/h1-2,5-6H,3-4,7,14H2/b11-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM176673 (US9115122, 76.2) Show SMILES NCCN1C(=S)S\C(=C/C=C/c2ccccc2)C1=O Show InChI InChI=1S/C14H14N2OS2/c15-9-10-16-13(17)12(19-14(16)18)8-4-7-11-5-2-1-3-6-11/h1-8H,9-10,15H2/b7-4+,12-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM176672 (US9115122, 76) Show SMILES CCOc1ccc(\C=C2/SC(=S)N(CCN)C2=O)cc1 Show InChI InChI=1S/C14H16N2O2S2/c1-2-18-11-5-3-10(4-6-11)9-12-13(17)16(8-7-15)14(19)20-12/h3-6,9H,2,7-8,15H2,1H3/b12-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [T157A,D319N] (Mus musculus (mouse))	BDBM176675 (US9115122, 76.4) Show SMILES COc1ccc(\C=C2/SC(=S)N(CCN)C2=O)cc1OC Show InChI InChI=1S/C14H16N2O3S2/c1-18-10-4-3-9(7-11(10)19-2)8-12-13(17)16(6-5-15)14(20)21-12/h3-4,7-8H,5-6,15H2,1-2H3/b12-8-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair