Found 188 hits with Last Name = 'pappano' and Initial = 'wn' 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 |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM223987
(A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...)Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r,w:24.26| Show InChI InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| 0.400 | -53.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
AbbVie Inc.
| Assay Description For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti... |
Nat Chem Biol 13: 389-395 (2017)
Article DOI: 10.1038/nchembio.2306 BindingDB Entry DOI: 10.7270/Q2NG4PGD |
More data for this Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM223987
(A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...)Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r,w:24.26| Show InChI InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| 0.5 | -53.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
AbbVie Inc.
| Assay Description For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti... |
Nat Chem Biol 13: 389-395 (2017)
Article DOI: 10.1038/nchembio.2306 BindingDB Entry DOI: 10.7270/Q2NG4PGD |
More data for this Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM223986
((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...)Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 1 | -51.4 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
AbbVie Inc.
| Assay Description For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti... |
Nat Chem Biol 13: 389-395 (2017)
Article DOI: 10.1038/nchembio.2306 BindingDB Entry DOI: 10.7270/Q2NG4PGD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM223985
(rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimeth...)Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2ccccc12 |r| Show InChI InChI=1S/C23H28FN3/c1-16-8-7-10-21(24)18(16)13-27-14-20(23(15-27)25(2)3)19-12-26(4)22-11-6-5-9-17(19)22/h5-12,20,23H,13-15H2,1-4H3/t20-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4 | -47.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
AbbVie Inc.
| Assay Description For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti... |
Nat Chem Biol 13: 389-395 (2017)
Article DOI: 10.1038/nchembio.2306 BindingDB Entry DOI: 10.7270/Q2NG4PGD |
More data for this Ligand-Target Pair | |
N-lysine methyltransferase KMT5A
(Homo sapiens (Human)) | BDBM50201571
(CHEMBL3934996)Show SMILES CCCCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C49H90N20O10/c1-7-8-14-32(42(74)69-38(28(4)5)45(77)68-36(23-27(2)3)43(75)66-35(46(78)79)18-13-22-60-49(55)56)63-40(72)33(16-11-20-58-47(51)52)65-44(76)37(24-30-25-57-26-61-30)67-41(73)34(17-12-21-59-48(53)54)64-39(71)31(62-29(6)70)15-9-10-19-50/h25-28,31-38H,7-24,50H2,1-6H3,(H,57,61)(H,62,70)(H,63,72)(H,64,71)(H,65,76)(H,66,75)(H,67,73)(H,68,77)(H,69,74)(H,78,79)(H4,51,52,58)(H4,53,54,59)(H4,55,56,60)/t31-,32?,33-,34-,35-,36-,37-,38-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description Competitive inhibition of human SETD8 (186 to 352 residues) using biotin-labeled H4K20 (1 to 24 residues) as substrate after 1 hr in presence of 3H-S... |
ACS Med Chem Lett 7: 1102-1106 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00303 BindingDB Entry DOI: 10.7270/Q2319XVP |
More data for this Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM223984
(rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...)Show SMILES COc1ccccc1CN1C[C@@H]([C@H](C1)c1cn(C)c2ccccc12)N(C)C |r| Show InChI InChI=1S/C23H29N3O/c1-24(2)22-16-26(13-17-9-5-8-12-23(17)27-4)15-20(22)19-14-25(3)21-11-7-6-10-18(19)21/h5-12,14,20,22H,13,15-16H2,1-4H3/t20-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 1.20E+3 | -33.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
AbbVie Inc.
| Assay Description For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti... |
Nat Chem Biol 13: 389-395 (2017)
Article DOI: 10.1038/nchembio.2306 BindingDB Entry DOI: 10.7270/Q2NG4PGD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM223989
(A-395N (6))Show SMILES CN(C)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C24H34N4O2S/c1-25(2)24-19-26(17-20-7-5-4-6-8-20)18-23(24)21-9-11-22(12-10-21)27-13-15-28(16-14-27)31(3,29)30/h4-12,23-24H,13-19H2,1-3H3/t23-,24+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.83E+3 | -32.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
AbbVie Inc.
| Assay Description For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti... |
Nat Chem Biol 13: 389-395 (2017)
Article DOI: 10.1038/nchembio.2306 BindingDB Entry DOI: 10.7270/Q2NG4PGD |
More data for this Ligand-Target Pair | |
N-lysine methyltransferase KMT5A
(Homo sapiens (Human)) | BDBM50051116
(CHEMBL3318284)Show SMILES [H][C@]12[C@@H](C)[C@H](O)C[C@@H](O)[C@@]1(C)C=C(C)[C@H]([C@@H]2\C=C(/C)C(O)=O)C(C)=CC[C@H](O)C[C@@H](O)[C@H](C)[C@@H](O)C(C)C |r,t:12| Show InChI InChI=1S/C30H50O7/c1-15(2)28(35)20(7)23(32)12-21(31)10-9-16(3)26-18(5)14-30(8)25(34)13-24(33)19(6)27(30)22(26)11-17(4)29(36)37/h9,11,14-15,19-28,31-35H,10,12-13H2,1-8H3,(H,36,37)/b16-9+,17-11+/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,30+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description Competitive inhibition of SETD8 (unknown origin) using biotin-labeled H4 (1 to 24 residues) as substrate after 1 hr in presence of varying levels of ... |
ACS Med Chem Lett 7: 1102-1106 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00303 BindingDB Entry DOI: 10.7270/Q2319XVP |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50446378
(CHEMBL3109639)Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C2(C)C |t:19| Show InChI InChI=1S/C18H27N3O2/c1-18(2)13-11-15(22-3)16(12-14(13)20-17(18)19)23-10-6-9-21-7-4-5-8-21/h11-12H,4-10H2,1-3H3,(H2,19,20) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay |
ACS Med Chem Lett 5: 205-9 (2014)
Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0 |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50446386
(CHEMBL3109631)Show SMILES COc1cc2c(cc1OCC1CCN(C)C1)N=C(N)C21CCC1 |t:18| Show InChI InChI=1S/C18H25N3O2/c1-21-7-4-12(10-21)11-23-16-9-14-13(8-15(16)22-2)18(5-3-6-18)17(19)20-14/h8-9,12H,3-7,10-11H2,1-2H3,(H2,19,20) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay |
ACS Med Chem Lett 5: 205-9 (2014)
Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0 |
More data for this Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50095537
(CHEMBL3590526 | US9598381, 1a (S enantiomer))Show SMILES O[C@@H](CNCCN(C1CCCCC1)C(=O)CCNCCc1ccc(Cl)c(Cl)c1)c1cccc2NC(=O)COc12 |r| Show InChI InChI=1S/C23H22N2O2/c26-23-21(22(27-25-23)15-9-11-24-12-10-15)14-20-18-7-3-1-5-16(18)13-17-6-2-4-8-19(17)20/h1-8,13,15,24H,9-12,14H2,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description Inhibition of SMYD2 (unknown origin) using biotinylated GSRAHSSHLKSKKGQSTSRH as substrate assessed as incorporation of tritium labeled methyl group f... |
ACS Med Chem Lett 6: 695-700 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00124 BindingDB Entry DOI: 10.7270/Q2KP83X5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50446376
(CHEMBL3109630)Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description Inhibition of G9a (unknown origin)-mediated incorporation of methyl group from [3H]-SAM into peptide substrate by scintillation proximity assay |
ACS Med Chem Lett 5: 205-9 (2014)
Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50446376
(CHEMBL3109630)Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay |
ACS Med Chem Lett 5: 205-9 (2014)
Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50446380
(CHEMBL3109637)Show SMILES COc1cc2c(cc1OCCCN1CC[C@@H](F)C1)N=C(N)C21CCC1 |r,t:20| Show InChI InChI=1S/C19H26FN3O2/c1-24-16-10-14-15(22-18(21)19(14)5-2-6-19)11-17(16)25-9-3-7-23-8-4-13(20)12-23/h10-11,13H,2-9,12H2,1H3,(H2,21,22)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay |
ACS Med Chem Lett 5: 205-9 (2014)
Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0 |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50315895
(CHEMBL1090357 | N-(3-(5-(2-(4-(2-(dimethylamino)et...)Show SMILES CN(C)CCc1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1 Show InChI InChI=1S/C32H27F2N7OS/c1-40(2)16-14-20-9-11-22(12-10-20)37-31-35-15-13-26(38-31)29-28(39-32-41(29)17-18-43-32)21-5-3-6-23(19-21)36-30(42)27-24(33)7-4-8-25(27)34/h3-13,15,17-19H,14,16H2,1-2H3,(H,36,42)(H,35,37,38) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of ErbB2 by time resolved fluorescence assay |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50446383
(CHEMBL3109634)Show SMILES COc1cc2c(cc1OCCCN1CC(F)C1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C18H24FN3O2/c1-23-15-8-13-14(21-17(20)18(13)4-2-5-18)9-16(15)24-7-3-6-22-10-12(19)11-22/h8-9,12H,2-7,10-11H2,1H3,(H2,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay |
ACS Med Chem Lett 5: 205-9 (2014)
Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0 |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50315905
(CHEMBL1090350 | N-(3-(5-(2-(4-morpholinophenylamin...)Show SMILES O=C(Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)c1ccccc1 Show InChI InChI=1S/C32H27N7O2S/c40-30(22-5-2-1-3-6-22)34-25-8-4-7-23(21-25)28-29(39-17-20-42-32(39)37-28)27-13-14-33-31(36-27)35-24-9-11-26(12-10-24)38-15-18-41-19-16-38/h1-14,17,20-21H,15-16,18-19H2,(H,34,40)(H,33,35,36) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of ErbB2 by time resolved fluorescence assay |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50446385
(CHEMBL3109632)Show SMILES COc1cc2c(cc1OCC1CCCN1C)N=C(N)C21CCC1 |t:18| Show InChI InChI=1S/C18H25N3O2/c1-21-8-3-5-12(21)11-23-16-10-14-13(9-15(16)22-2)18(6-4-7-18)17(19)20-14/h9-10,12H,3-8,11H2,1-2H3,(H2,19,20) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay |
ACS Med Chem Lett 5: 205-9 (2014)
Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0 |
More data for this Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50095536
(CHEMBL3590527 | US9598381, 1 (racemate))Show SMILES O[C@H](CNCCN(C1CCCCC1)C(=O)CCNCCc1ccc(Cl)c(Cl)c1)c1cccc2NC(=O)COc12 |r| Show InChI InChI=1S/C20H22N2O2/c23-20-18(19(24-22-20)16-9-11-21-12-10-16)8-6-14-5-7-15-3-1-2-4-17(15)13-14/h1-5,7,13,16,21H,6,8-12H2,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description Inhibition of SMYD2 (unknown origin) using biotinylated GSRAHSSHLKSKKGQSTSRH as substrate assessed as incorporation of tritium labeled methyl group f... |
ACS Med Chem Lett 6: 695-700 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00124 BindingDB Entry DOI: 10.7270/Q2KP83X5 |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50315903
(CHEMBL1093234 | N-(3-(5-(2-(phenylamino)pyrimidin-...)Show SMILES O=C(Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccccc2)n1)c1ccccc1 Show InChI InChI=1S/C28H20N6OS/c35-26(19-8-3-1-4-9-19)30-22-13-7-10-20(18-22)24-25(34-16-17-36-28(34)33-24)23-14-15-29-27(32-23)31-21-11-5-2-6-12-21/h1-18H,(H,30,35)(H,29,31,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of ErbB2 by time resolved fluorescence assay |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50315897
(2,6-difluoro-N-(3-(5-(2-(1,2,3,4-tetrahydroisoquin...)Show SMILES Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc3CNCCc3c2)n1 Show InChI InChI=1S/C31H23F2N7OS/c32-23-5-2-6-24(33)26(23)29(41)36-21-4-1-3-19(16-21)27-28(40-13-14-42-31(40)39-27)25-10-12-35-30(38-25)37-22-8-7-20-17-34-11-9-18(20)15-22/h1-8,10,12-16,34H,9,11,17H2,(H,36,41)(H,35,37,38) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of ErbB2 by time resolved fluorescence assay |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM223987
(A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...)Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r,w:24.26| Show InChI InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 7.51 | n/a | n/a | n/a | n/a | 7.5 | 25 |
AbbVie Inc.
| Assay Description For the assay, compounds or nonbiotinylated H3(23-34) peptide were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM... |
Nat Chem Biol 13: 389-395 (2017)
Article DOI: 10.1038/nchembio.2306 BindingDB Entry DOI: 10.7270/Q2NG4PGD |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50315896
(CHEMBL1090358 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...)Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1 Show InChI InChI=1S/C34H30F2N8OS/c1-2-42-15-17-43(18-16-42)25-11-9-23(10-12-25)39-33-37-14-13-28(40-33)31-30(41-34-44(31)19-20-46-34)22-5-3-6-24(21-22)38-32(45)29-26(35)7-4-8-27(29)36/h3-14,19-21H,2,15-18H2,1H3,(H,38,45)(H,37,39,40) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of ErbB2 by time resolved fluorescence assay |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50075102
(CHEMBL3414623)Show SMILES Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12 Show InChI InChI=1S/C36H42N6O/c1-28-27-42(34-11-4-2-9-32(28)34)22-19-40-17-20-41(21-18-40)35-12-5-3-10-33(35)30-23-29(26-37)24-31(25-30)36(43)38-13-8-16-39-14-6-7-15-39/h2-5,9-12,23-25,27H,6-8,13-22H2,1H3,(H,38,43) | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | <15 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description Inhibition of SMYD2 (unknown origin) using p53 (361 to 380) as substrate assessed as incorporation of tritium labeled methyl group from [3H]-SAM to p... |
ACS Med Chem Lett 6: 695-700 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00124 BindingDB Entry DOI: 10.7270/Q2KP83X5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM223987
(A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...)Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r,w:24.26| Show InChI InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1 | PDB
UniProtKB/SwissProt
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | 23 |
AbbVie Inc.
| Assay Description IC50 values were determined for compounds A-395 and A-395N at 75 nM of EZH2 trimeric complex (EZH2-EED-SUZ12), 3 μM of human nucleosome and 1 ... |
Nat Chem Biol 13: 389-395 (2017)
Article DOI: 10.1038/nchembio.2306 BindingDB Entry DOI: 10.7270/Q2NG4PGD |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50446379
(CHEMBL3109638)Show SMILES COc1cc2c(cc1OCCCN1CC[C@H](F)C1)N=C(N)C21CCC1 |r,t:20| Show InChI InChI=1S/C19H26FN3O2/c1-24-16-10-14-15(22-18(21)19(14)5-2-6-19)11-17(16)25-9-3-7-23-8-4-13(20)12-23/h10-11,13H,2-9,12H2,1H3,(H2,21,22)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay |
ACS Med Chem Lett 5: 205-9 (2014)
Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0 |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM50315888
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1 Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of ErRB4 |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50315887
((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)| Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50095537
(CHEMBL3590526 | US9598381, 1a (S enantiomer))Show SMILES O[C@@H](CNCCN(C1CCCCC1)C(=O)CCNCCc1ccc(Cl)c(Cl)c1)c1cccc2NC(=O)COc12 |r| Show InChI InChI=1S/C23H22N2O2/c26-23-21(22(27-25-23)15-9-11-24-12-10-15)14-20-18-7-3-1-5-16(18)13-17-6-2-4-8-19(17)20/h1-8,13,15,24H,9-12,14H2,(H,25,26) | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
US Patent
| Assay Description Binding affinity of compounds having formula (I) to SMYD2 is indicia of their inhibition of the activity of this protein lysine methyltransferase. To... |
US Patent US9598381 (2017)
BindingDB Entry DOI: 10.7270/Q2VQ34QT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone-lysine N-methyltransferase KMT5B
(Homo sapiens (Human)) | BDBM223981
(6,7-Dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthala...)Show InChI InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24) | PDB
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| PDB Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | 8.0 | 25 |
AbbVie
| Assay Description Experiments were performed in triplicate at room temperature with 1 h incubation of 10 μl reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, ... |
Nat Chem Biol 13: 317-324 (2017)
Article DOI: 10.1038/nchembio.2282 BindingDB Entry DOI: 10.7270/Q2X065XF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50315888
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1 Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of Lyn |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50315886
(2-phenyl-N-(3-(5-(2-(1,2,3,4-tetrahydroisoquinolin...)Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc3CNCCc3c2)n1 Show InChI InChI=1S/C32H27N7OS/c40-28(17-21-5-2-1-3-6-21)35-25-8-4-7-23(19-25)29-30(39-15-16-41-32(39)38-29)27-12-14-34-31(37-27)36-26-10-9-24-20-33-13-11-22(24)18-26/h1-10,12,14-16,18-19,33H,11,13,17,20H2,(H,35,40)(H,34,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50315895
(CHEMBL1090357 | N-(3-(5-(2-(4-(2-(dimethylamino)et...)Show SMILES CN(C)CCc1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1 Show InChI InChI=1S/C32H27F2N7OS/c1-40(2)16-14-20-9-11-22(12-10-20)37-31-35-15-13-26(38-31)29-28(39-32-41(29)17-18-43-32)21-5-3-6-23(19-21)36-30(42)27-24(33)7-4-8-25(27)34/h3-13,15,17-19H,14,16H2,1-2H3,(H,36,42)(H,35,37,38) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of ErbB2 intracellular phosphorylation in human N87 cells by ELISA |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50315888
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1 Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of KDR |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB MMDB
KEGG
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of EGFR intracellular phosphorylation in human A431 cells by ELISA |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50315902
(2-chloro-N-(3-(5-(2-(phenylamino)pyrimidin-4-yl)im...)Show SMILES Clc1ccccc1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccccc2)n1 Show InChI InChI=1S/C28H19ClN6OS/c29-22-12-5-4-11-21(22)26(36)31-20-10-6-7-18(17-20)24-25(35-15-16-37-28(35)34-24)23-13-14-30-27(33-23)32-19-8-2-1-3-9-19/h1-17H,(H,31,36)(H,30,32,33) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of ErbB2 by time resolved fluorescence assay |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50446376
(CHEMBL3109630)Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description Inhibition of GLP (unknown origin)-mediated incorporation of methyl group from [3H]-SAM into peptide substrate by scintillation proximity assay |
ACS Med Chem Lett 5: 205-9 (2014)
Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0 |
More data for this Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50315885
(CHEMBL1090362 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...)Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)Cc3ccccc3)c2)cc1 Show InChI InChI=1S/C35H34N8OS/c1-2-41-17-19-42(20-18-41)29-13-11-27(12-14-29)38-34-36-16-15-30(39-34)33-32(40-35-43(33)21-22-45-35)26-9-6-10-28(24-26)37-31(44)23-25-7-4-3-5-8-25/h3-16,21-22,24H,2,17-20,23H2,1H3,(H,37,44)(H,36,38,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50315899
(CHEMBL1090363 | N-(3-(5-(2-(3-(2-(dimethylamino)et...)Show SMILES CN(C)CCc1cccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)Cc3ccccc3)c2)c1 Show InChI InChI=1S/C33H31N7OS/c1-39(2)17-15-24-10-6-12-26(20-24)36-32-34-16-14-28(37-32)31-30(38-33-40(31)18-19-42-33)25-11-7-13-27(22-25)35-29(41)21-23-8-4-3-5-9-23/h3-14,16,18-20,22H,15,17,21H2,1-2H3,(H,35,41)(H,34,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50315896
(CHEMBL1090358 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...)Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1 Show InChI InChI=1S/C34H30F2N8OS/c1-2-42-15-17-43(18-16-42)25-11-9-23(10-12-25)39-33-37-14-13-28(40-33)31-30(41-34-44(31)19-20-46-34)22-5-3-6-24(21-22)38-32(45)29-26(35)7-4-8-27(29)36/h3-14,19-21H,2,15-18H2,1H3,(H,38,45)(H,37,39,40) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of EGFR intracellular phosphorylation in human A431 cells by ELISA |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50315885
(CHEMBL1090362 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...)Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)Cc3ccccc3)c2)cc1 Show InChI InChI=1S/C35H34N8OS/c1-2-41-17-19-42(20-18-41)29-13-11-27(12-14-29)38-34-36-16-15-30(39-34)33-32(40-35-43(33)21-22-45-35)26-9-6-10-28(24-26)37-31(44)23-25-7-4-3-5-8-25/h3-16,21-22,24H,2,17-20,23H2,1H3,(H,37,44)(H,36,38,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5445
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) | PDB MMDB
KEGG
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of EGFR intracellular phosphorylation in human A431 cells by ELISA |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50315886
(2-phenyl-N-(3-(5-(2-(1,2,3,4-tetrahydroisoquinolin...)Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc3CNCCc3c2)n1 Show InChI InChI=1S/C32H27N7OS/c40-28(17-21-5-2-1-3-6-21)35-25-8-4-7-23(19-25)29-30(39-15-16-41-32(39)38-29)27-12-14-34-31(37-27)36-26-10-9-24-20-33-13-11-22(24)18-26/h1-10,12,14-16,18-19,33H,11,13,17,20H2,(H,35,40)(H,34,36,37) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of ErbB2 by time resolved fluorescence assay |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50315888
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1 Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of Aurora1 |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50315888
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1 Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37) | PDB
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Similars
| Article PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of Flt4 |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50095536
(CHEMBL3590527 | US9598381, 1 (racemate))Show SMILES O[C@H](CNCCN(C1CCCCC1)C(=O)CCNCCc1ccc(Cl)c(Cl)c1)c1cccc2NC(=O)COc12 |r| Show InChI InChI=1S/C20H22N2O2/c23-20-18(19(24-22-20)16-9-11-21-12-10-16)8-6-14-5-7-15-3-1-2-4-17(15)13-14/h1-5,7,13,16,21H,6,8-12H2,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| US Patent
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
US Patent
| Assay Description Binding affinity of compounds having formula (I) to SMYD2 is indicia of their inhibition of the activity of this protein lysine methyltransferase. To... |
US Patent US9598381 (2017)
BindingDB Entry DOI: 10.7270/Q2VQ34QT |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50315896
(CHEMBL1090358 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...)Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1 Show InChI InChI=1S/C34H30F2N8OS/c1-2-42-15-17-43(18-16-42)25-11-9-23(10-12-25)39-33-37-14-13-28(40-33)31-30(41-34-44(31)19-20-46-34)22-5-3-6-24(21-22)38-32(45)29-26(35)7-4-8-27(29)36/h3-14,19-21H,2,15-18H2,1H3,(H,38,45)(H,37,39,40) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of ErbB2 intracellular phosphorylation in human N87 cells by ELISA |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50315888
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1 Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of LCK |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50315888
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1 Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of ErbB2 by time resolved fluorescence assay |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50315888
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1 Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of InsR |
Bioorg Med Chem Lett 20: 2452-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT |
More data for this Ligand-Target Pair | |