Compile Data Set for Download or QSAR

Found 317 hits with Last Name = 'babiss' and Initial = 'l'   

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
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM50557619 (CHEMBL4796239) Show SMILES CNC(=O)[C@@H](C)N(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1Cc2ccc(cc2C1)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00547 BindingDB Entry DOI: 10.7270/Q20005S0
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM50557620 (CHEMBL4752978) Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1Cc2ccc(cc2C1)C(N)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00547 BindingDB Entry DOI: 10.7270/Q20005S0
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM50438317 (CHEMBL2408611) Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(Cl)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(28,-9.67,;29.47,-9.2,;30.61,-10.23,;32.07,-9.75,;32.39,-8.26,;33.86,-7.78,;34.33,-6.31,;35.87,-6.31,;36.35,-7.78,;35.1,-8.68,;37.81,-8.25,;38.13,-9.77,;39.58,-10.25,;40.73,-9.22,;42.2,-9.7,;40.42,-7.71,;38.95,-7.23,;31.26,-7.23,;31.25,-5.69,;32.5,-4.79,;29.79,-5.22,;28.89,-6.46,;29.79,-7.7,;29.32,-3.75,;30.36,-2.61,;29.89,-1.15,;28.39,-.82,;27.35,-1.96,;25.81,-1.96,;25.33,-3.42,;26.58,-4.33,;27.82,-3.43,)| Show InChI InChI=1S/C22H19ClN6O2S/c23-18-17-15(11-8-26-29(10-11)12-4-6-13(30)7-5-12)9-25-22(24)20(17)31-19(18)14-2-1-3-16-21(14)32-28-27-16/h1-3,8-10,12-13,30H,4-7H2,(H2,24,25)/t12-,13-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00547 BindingDB Entry DOI: 10.7270/Q20005S0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM50187111 (CHEMBL3823738) Show SMILES CC(C)Oc1c(NC(=O)c2csc3c2nc[nH]c3=O)cccc1C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H25N5O4S/c1-13(2)31-18-14(22(30)27-9-7-26(3)8-10-27)5-4-6-16(18)25-20(28)15-11-32-19-17(15)23-12-24-21(19)29/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H,23,24,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00547 BindingDB Entry DOI: 10.7270/Q20005S0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00547 BindingDB Entry DOI: 10.7270/Q20005S0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433293 (6-(4-(aminomethyl)-4- methylpiperidin-1-yl)-3- ((2...) Show SMILES CC1(CN)CCN(CC1)c1nc2[nH]nc(Nc3cccc(Cl)c3Cl)c2c(=O)[nH]1 Show InChI InChI=1S/C18H21Cl2N7O/c1-18(9-21)5-7-27(8-6-18)17-23-15-12(16(28)24-17)14(25-26-15)22-11-4-2-3-10(19)13(11)20/h2-4H,5-9,21H2,1H3,(H3,22,23,24,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433294 (6-((2-amino-3- chloropyridin-4-yl)thio)-3- ((3S,4S...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)[nH]c2=O)[C@@H]1N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433295 (N-(3-((5-(4- (aminomethyl)-4- methylpiperidin-1-yl...) Show SMILES CC1(CN)CCN(CC1)c1ncc(Sc2cccc(NC(=O)c3c(O)nc4sccn4c3=O)c2Cl)[nH]c1=O Show InChI InChI=1S/C24H24ClN7O4S2/c1-24(12-26)5-7-31(8-6-24)18-21(35)29-15(11-27-18)38-14-4-2-3-13(17(14)25)28-19(33)16-20(34)30-23-32(22(16)36)9-10-37-23/h2-4,9-11,34H,5-8,12,26H2,1H3,(H,28,33)(H,29,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433296 (N-(3-((5-(4- (aminomethyl)-4- methylpiperidin-1-yl...) Show SMILES CC1(CN)CCN(CC1)c1ncc(Sc2cccc(NC(=O)c3c(O)nc4ccccn4c3=O)c2Cl)[nH]c1=O Show InChI InChI=1S/C26H26ClN7O4S/c1-26(14-28)8-11-33(12-9-26)21-24(37)32-18(13-29-21)39-16-6-4-5-15(20(16)27)30-22(35)19-23(36)31-17-7-2-3-10-34(17)25(19)38/h2-7,10,13,36H,8-9,11-12,14,28H2,1H3,(H,30,35)(H,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433297 (N-(3-((5-(4- (aminomethyl)-4- methylpiperidin-1-yl...) Show SMILES CC1(CN)CCN(CC1)c1ncc(Sc2cccc(NC(=O)c3c(O)nc4[nH]ccn4c3=O)c2Cl)[nH]c1=O Show InChI InChI=1S/C24H25ClN8O4S/c1-24(12-26)5-8-32(9-6-24)18-21(36)30-15(11-28-18)38-14-4-2-3-13(17(14)25)29-19(34)16-20(35)31-23-27-7-10-33(23)22(16)37/h2-4,7,10-11,35H,5-6,8-9,12,26H2,1H3,(H,27,31)(H,29,34)(H,30,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433300 (N-(3-((5-(4- (aminomethyl)-4- methylpiperidin-1-yl...) Show SMILES CC1(CN)CCN(CC1)c1ncc(Sc2cccc(NC(=O)c3c(O)nc4cnccn4c3=O)c2Cl)[nH]c1=O Show InChI InChI=1S/C25H25ClN8O4S/c1-25(13-27)5-8-33(9-6-25)20-23(37)32-17(12-29-20)39-15-4-2-3-14(19(15)26)30-21(35)18-22(36)31-16-11-28-7-10-34(16)24(18)38/h2-4,7,10-12,36H,5-6,8-9,13,27H2,1H3,(H,30,35)(H,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433301 (3-((3S,4S)-4-amino-3- methyl-2-oxa-8- azaspiro[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(Cl)c3Cl)[nH]c2=O)[C@@H]1N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433302 ((S)-3-(4-amino-2-oxa-8- azaspiro[4.5]decan-8-yl)- ...) Show SMILES N[C@@H]1COCC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)[nH]c1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433303 (1-(3-aminocyclohexyl)-4- (2,3- dichlorophenyl)pyri...) Show SMILES NC1CCCC(C1)n1ccc(cc1=O)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C17H18Cl2N2O/c18-15-6-2-5-14(17(15)19)11-7-8-21(16(22)9-11)13-4-1-3-12(20)10-13/h2,5-9,12-13H,1,3-4,10,20H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433304 (N-(3-((5-(4- (aminomethyl)-4- methylpiperidin-1-yl...) Show SMILES CC1(CN)CCN(CC1)c1ncc(Sc2cccc(NC(=O)c3c(O)nc4CCCCn4c3=O)c2Cl)[nH]c1=O Show InChI InChI=1S/C26H30ClN7O4S/c1-26(14-28)8-11-33(12-9-26)21-24(37)32-18(13-29-21)39-16-6-4-5-15(20(16)27)30-22(35)19-23(36)31-17-7-2-3-10-34(17)25(19)38/h4-6,13,36H,2-3,7-12,14,28H2,1H3,(H,30,35)(H,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433305 (3-((3S,4S)-4-amino-3- methyl-2-oxa-8- azaspiro[4.5...) Show SMILES COc1cccc(Sc2cnc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c(=O)[nH]2)c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433306 (3-((3S,4S)-4-amino-3- methyl-2-oxa-8- azaspiro[4.5...) Show SMILES COc1nccc(Sc2cnc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c(=O)[nH]2)c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433307 (3-((3S,4S)-4-amino-3- methyl-2-oxa-8- azaspiro[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(Cl)c3Cl)[nH]c2=O)[C@@H]1N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433308 (4-((5-(4-(aminomethyl)-4- methylpiperidin-1-yl)-6-...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(F)c3F)[nH]c2=O)[C@@H]1N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433309 (3-((3S,4S)-4-amino-3- methyl-2-oxa-8- azaspiro[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc[nH]c(=O)c3Cl)[nH]c2=O)[C@@H]1N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433310 (3-((3S,4S)-4-amino-3- methyl-2-oxa-8- azaspiro[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(F)c3Cl)[nH]c2=O)[C@@H]1N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433311 (3-((3S,4S)-4-amino-3- methyl-2-oxa-8- azaspiro[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(F)c3F)[nH]c2=O)[C@@H]1N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433314 (3-(6-amino-3- azabicyclo[3.1.0]hexan-3- yl)-6-((2,...) Show SMILES NC1C2CN(CC12)c1ncc(Sc2cccc(Cl)c2Cl)[nH]c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433316 ((R)-3-(3-amino-3H- spiro[benzofuran-2,4'- piperidi...) Show SMILES N[C@@H]1c2ccccc2OC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)[nH]c1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433317 ((S)-3-(4-amino-2-oxa-8- azaspiro[4.5]decan-8-yl)- ...) Show SMILES N[C@@H]1COCC11CCN(CC1)c1ncc(Sc2ccnc(Cl)c2Cl)[nH]c1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433315 ((S)-3-(1-amino-1,3- dihydrospiro[indene-2,4'- pipe...) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)[nH]c1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433291 (6-(4-(aminomethyl)-4- methylpiperidin-1-yl)-3- (2,...) Show SMILES CC1(CN)CCN(CC1)c1nc2[nH]nc(Oc3cccc(Cl)c3Cl)c2c(=O)[nH]1 Show InChI InChI=1S/C18H20Cl2N6O2/c1-18(9-21)5-7-26(8-6-18)17-22-14-12(15(27)23-17)16(25-24-14)28-11-4-2-3-10(19)13(11)20/h2-4H,5-9,21H2,1H3,(H2,22,23,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433313 (3-(2- aminospiro[bicyclo[3.1.0] hexane-3,4'-piperi...) Show SMILES NC1C2CC2CC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)[nH]c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433312 (3-((3S,4S)-4-amino-3- methyl-2-oxa-8- azaspiro[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(F)c3Cl)[nH]c2=O)[C@@H]1N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433298 (N-(3-((5-(4- (aminomethyl)-4- methylpiperidin-1-yl...) Show SMILES CN1C(=O)C(C(=O)Nc2cccc(Sc3cnc(N4CCC(C)(CN)CC4)c(=O)[nH]3)c2Cl)=C(Cl)C1(C)C |t:34| Show InChI InChI=1S/C25H30Cl2N6O3S/c1-24(2)19(27)17(23(36)32(24)4)21(34)30-14-6-5-7-15(18(14)26)37-16-12-29-20(22(35)31-16)33-10-8-25(3,13-28)9-11-33/h5-7,12H,8-11,13,28H2,1-4H3,(H,30,34)(H,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433290 (3-(4-(aminomethyl)-4- methylpiperidin-1-yl)-6- ((2...) Show SMILES CC1(CN)CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)[nH]c1=O Show InChI InChI=1S/C17H20Cl2N4OS/c1-17(10-20)5-7-23(8-6-17)15-16(24)22-13(9-21-15)25-12-4-2-3-11(18)14(12)19/h2-4,9H,5-8,10,20H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM433292 (6-amino-2-(3- (aminomethyl)-3- methylpyrrolidin-1-...) Show SMILES Cn1c(nc(N)c(Sc2cccc(Cl)c2Cl)c1=O)N1CCC(C)(CN)C1 Show InChI InChI=1S/C17H21Cl2N5OS/c1-17(8-20)6-7-24(9-17)16-22-14(21)13(15(25)23(16)2)26-11-5-3-4-10(18)12(11)19/h3-5H,6-9,20-21H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
SYNBLia Therapeutics, Inc. US Patent					Assay Description IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 μl and the following as...				US Patent US10561655 (2020) BindingDB Entry DOI: 10.7270/Q23F4S2Z
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM50557622 (CHEMBL4786426) Show SMILES CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1Cc2ccccc2C1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00547 BindingDB Entry DOI: 10.7270/Q20005S0
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM50557633 (CHEMBL4795442) Show SMILES CNC(=O)[C@@H](C)N(Cc1ccccc1OC(F)F)C(=O)c1c[nH]c(n1)C(=O)N1CCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system usin...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00547 BindingDB Entry DOI: 10.7270/Q20005S0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369905 ((R)—N-(1-Cyclohexyl-2-(3-methyl-2,4-dioxo-1-p...) Show SMILES CN1C(=O)N(c2ccccc2)C2(CCN(CC2)C(=O)[C@H](NC(=O)c2cccc(C)c2)C2CCCCC2)C1=O |r| Show InChI InChI=1S/C30H36N4O4/c1-21-10-9-13-23(20-21)26(35)31-25(22-11-5-3-6-12-22)27(36)33-18-16-30(17-19-33)28(37)32(2)29(38)34(30)24-14-7-4-8-15-24/h4,7-10,13-15,20,22,25H,3,5-6,11-12,16-19H2,1-2H3,(H,31,35)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369906 (2-Fluoro-3-methyl-N-((2R,3R)-3-methyl-1-(3-methyl-...) Show SMILES CC[C@@H](C)[C@@H](NC(=O)c1cccc(C)c1F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccccc1 |r| Show InChI InChI=1S/C28H33FN4O4/c1-5-18(2)23(30-24(34)21-13-9-10-19(3)22(21)29)25(35)32-16-14-28(15-17-32)26(36)31(4)27(37)33(28)20-11-7-6-8-12-20/h6-13,18,23H,5,14-17H2,1-4H3,(H,30,34)/t18-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369909 ((R)—N-(1-(3-(Cyanomethyl)-1-(4-methoxyphenyl)...) Show SMILES CCc1ccc(F)c(c1)C(=O)N[C@H](C(C)C)C(=O)N1CCC2(CC1)N(C(=O)N(CC#N)C2=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H34FN5O5/c1-5-20-6-11-24(31)23(18-20)26(37)33-25(19(2)3)27(38)34-15-12-30(13-16-34)28(39)35(17-14-32)29(40)36(30)21-7-9-22(41-4)10-8-21/h6-11,18-19,25H,5,12-13,15-17H2,1-4H3,(H,33,37)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369910 ((R)-2-Fluoro-N-(1-(1-(3-fluoro-4-methoxyphenyl)-3-...) Show SMILES COc1ccc(cc1F)N1C(=O)N(C)C(=O)C11CCN(CC1)C(=O)[C@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C28H29F5N4O5/c1-15(2)22(34-23(38)18-13-16(28(31,32)33)5-7-19(18)29)24(39)36-11-9-27(10-12-36)25(40)35(3)26(41)37(27)17-6-8-21(42-4)20(30)14-17/h5-8,13-15,22H,9-12H2,1-4H3,(H,34,38)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369911 ((R)—N-(1-(1-(4-Cyanophenyl)-3-methyl-2,4-diox...) Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C28H27F4N5O4/c1-16(2)22(34-23(38)20-14-18(28(30,31)32)6-9-21(20)29)24(39)36-12-10-27(11-13-36)25(40)35(3)26(41)37(27)19-7-4-17(15-33)5-8-19/h4-9,14,16,22H,10-13H2,1-3H3,(H,34,38)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369912 ((R)—N-(1-(1-(3-Cyanophenyl)-3-methyl-2,4-diox...) Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1cccc(c1)C#N |r| Show InChI InChI=1S/C28H27F4N5O4/c1-16(2)22(34-23(38)20-14-18(28(30,31)32)7-8-21(20)29)24(39)36-11-9-27(10-12-36)25(40)35(3)26(41)37(27)19-6-4-5-17(13-19)15-33/h4-8,13-14,16,22H,9-12H2,1-3H3,(H,34,38)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369913 ((R)-2-Fluoro-N-(1-(1-(3-methoxyphenyl)-3-methyl-2,...) Show SMILES COc1cccc(c1)N1C(=O)N(C)C(=O)C11CCN(CC1)C(=O)[C@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C28H30F4N4O5/c1-16(2)22(33-23(37)20-14-17(28(30,31)32)8-9-21(20)29)24(38)35-12-10-27(11-13-35)25(39)34(3)26(40)36(27)18-6-5-7-19(15-18)41-4/h5-9,14-16,22H,10-13H2,1-4H3,(H,33,37)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369914 ((R)-2-Fluoro-N-(3-methyl-1-(3-methyl-1-(1-methyl-1...) Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2n(C)ncc2c1 |r| Show InChI InChI=1S/C29H30F4N6O4/c1-16(2)23(35-24(40)20-14-18(29(31,32)33)5-7-21(20)30)25(41)38-11-9-28(10-12-38)26(42)36(3)27(43)39(28)19-6-8-22-17(13-19)15-34-37(22)4/h5-8,13-16,23H,9-12H2,1-4H3,(H,35,40)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369915 ((R)-2-Fluoro-N-(3-methyl-1-(3-methyl-1-(2-methyl-2...) Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2nn(C)cc2c1 |r| Show InChI InChI=1S/C29H30F4N6O4/c1-16(2)23(34-24(40)20-14-18(29(31,32)33)5-7-21(20)30)25(41)38-11-9-28(10-12-38)26(42)37(4)27(43)39(28)19-6-8-22-17(13-19)15-36(3)35-22/h5-8,13-16,23H,9-12H2,1-4H3,(H,34,40)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369916 ((R)-2-Fluoro-N-(1-(1-(imidazo[1,2-a]pyridin-6-yl)-...) Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2nccn2c1 |r| Show InChI InChI=1S/C28H28F4N6O4/c1-16(2)22(34-23(39)19-14-17(28(30,31)32)4-6-20(19)29)24(40)36-11-8-27(9-12-36)25(41)35(3)26(42)38(27)18-5-7-21-33-10-13-37(21)15-18/h4-7,10,13-16,22H,8-9,11-12H2,1-3H3,(H,34,39)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369918 ((R)-5-Ethyl-2-fluoro-N-(3-methyl-1-(3-methyl-1-(3-...) Show SMILES CCc1ccc(F)c(c1)C(=O)N[C@H](C(C)C)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2cnc(C)n2c1 |r| Show InChI InChI=1S/C30H35FN6O4/c1-6-20-7-10-24(31)23(15-20)26(38)33-25(18(2)3)27(39)35-13-11-30(12-14-35)28(40)34(5)29(41)37(30)22-9-8-21-16-32-19(4)36(21)17-22/h7-10,15-18,25H,6,11-14H2,1-5H3,(H,33,38)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369919 ((R)-2-Fluoro-N-(3-methyl-1-(3-methyl-2,4-dioxo-1-(...) Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1cnc2[nH]ccc2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369920 ((R)—N-(1-(1-(3,4-Dihydro-2H-benzo[b][1,4]oxaz...) Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2NCCOc2c1 |r| Show InChI InChI=1S/C29H31F4N5O5/c1-16(2)23(35-24(39)19-14-17(29(31,32)33)4-6-20(19)30)25(40)37-11-8-28(9-12-37)26(41)36(3)27(42)38(28)18-5-7-21-22(15-18)43-13-10-34-21/h4-7,14-16,23,34H,8-13H2,1-3H3,(H,35,39)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369921 ((R)—N-(1-Cyclopentyl-2-(3-methyl-1-(1-methyl-...) Show SMILES CN1C(=O)N(c2ccc(=O)n(C)c2)C2(CCN(CC2)C(=O)[C@H](NC(=O)c2cc(ccc2F)C(F)(F)F)C2CCCC2)C1=O |r| Show InChI InChI=1S/C29H31F4N5O5/c1-35-16-19(8-10-22(35)39)38-27(43)36(2)26(42)28(38)11-13-37(14-12-28)25(41)23(17-5-3-4-6-17)34-24(40)20-15-18(29(31,32)33)7-9-21(20)30/h7-10,15-17,23H,3-6,11-14H2,1-2H3,(H,34,40)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369922 ((R)-2-Fluoro-N-(1-(1-(6-methoxypyridin-3-yl)-3-met...) Show SMILES COc1ccc(cn1)N1C(=O)N(C)C(=O)C11CCN(CC1)C(=O)[C@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C27H29F4N5O5/c1-15(2)21(33-22(37)18-13-16(27(29,30)31)5-7-19(18)28)23(38)35-11-9-26(10-12-35)24(39)34(3)25(40)36(26)17-6-8-20(41-4)32-14-17/h5-8,13-15,21H,9-12H2,1-4H3,(H,33,37)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369923 ((R)-2-Fluoro-N-(3-methyl-1-(3-methyl-2,4-dioxo-1-(...) Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C28H27F7N4O5/c1-15(2)21(36-22(40)19-14-16(27(30,31)32)4-9-20(19)29)23(41)38-12-10-26(11-13-38)24(42)37(3)25(43)39(26)17-5-7-18(8-6-17)44-28(33,34)35/h4-9,14-15,21H,10-13H2,1-3H3,(H,36,40)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
					More data for this Ligand-Target Pair

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