HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q96KQ7 | EHMT2_HUMAN | Histone-lysine N-methyltransferase EHMT2 (EHMT2)

3D structures mapped by conservation among orthologs

[ Domain: "Zn3Cys9 preSET domain-related" // Pre-SET ]

download pymol session

[ Domain: "SET domain-like" // SET ]

download pymol session

[ Domain: pdbs with more than 2 multi-domains ]

download pymol session



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4170225 OBDepict CH 3 O O NH N N N N H H 3 C H 3 C IC50 = 0.5 nM 477.65 COc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)[nH]3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4162206 OBDepict H 3 C O O N H N N N CH 3 H 3 C IC50 = 0.7 nM 508.75 COc1cc2c(NC3CCN(C(C)C)CC3)cc(C3CCCCC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL3109639 OBDepict CH 3 O O N CH 3 H 3 C H 2 N N IC50 = 0.9 nM 317.43 COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C2(C)C Homo sapiens CHEMBL3111908 single protein format
CHEMBL3109631 OBDepict H 3 C O O N H 2 N N CH 3 IC50 = 1.0 nM 315.42 COc1cc2c(cc1OCC1CCN(C)C1)N=C(N)C21CCC1 Homo sapiens CHEMBL3111908 single protein format
CHEMBL4159604 OBDepict CH 3 O O N H N N N CH 3 IC50 = 2.0 nM 480.7 COc1cc2c(NC3CCN(C)CC3)cc(C3CCCCC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4160008 OBDepict H 3 C O N NH O O N CH 3 CH 3 N IC50 = 2.0 nM 492.66 CCc1ccc(-c2cc(NC3CCN(C)CC3)c3cc(OC)c(OCCCN4CCCC4)cc3n2)o1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL1829295 OBDepict CH 3 O O N N H N N N N N CH 3 CH 3 H 3 C CH 3 IC50 = 2.0 nM 567.82 COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL1832317 single protein format
CHEMBL576781 OBDepict H 3 C O O N HN N N N CH 3 CH 3 N N CH 3 CH 3 Ki = 2.6 nM 485.68 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCCN(C)C Homo sapiens CHEMBL2173368 assay format
CHEMBL3109630 OBDepict H 3 C O O N H 2 N N IC50 = 3.0 nM 329.44 COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 Homo sapiens CHEMBL3111905 single protein format
CHEMBL4171233 OBDepict CH 3 O O NH N N O N H 3 C H 3 C CH 3 IC50 = 3.0 nM 506.69 COc1cc2c(NC3CCN(C(C)C)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4173626 OBDepict CH 3 O O N H N N O N CH 3 CH 3 CH 3 IC50 = 3.0 nM 520.72 CCc1ccc(-c2cc(NC3CCN(C(C)C)CC3)c3cc(OC)c(OCCCN4CCCC4)cc3n2)o1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4276830 OBDepict CH 3 O O HN N N N N CH 3 CH 3 N N CH 3 IC50 < 3.0 nM 561.78 COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCCN(C)C Homo sapiens CHEMBL4262303 single protein format
CHEMBL4795328 OBDepict CH 3 N H N N H N CH 3 O F F HN IC50 = 3.25 nM 375.42 CNc1cc(C)nc(Nc2ccc(OC(F)F)c(C3=CCNCCC3)c2)n1 Homo sapiens CHEMBL4728050 single protein format
CHEMBL3109637 OBDepict H 3 C O O N H 2 N N H F IC50 = 3.7 nM 347.43 COc1cc2c(cc1OCCCN1CC[C@@H](F)C1)N=C(N)C21CCC1 Homo sapiens CHEMBL3111908 single protein format
CHEMBL1231795 OBDepict H 3 C O O N H N N N N CH 3 H 3 C Ki = 3.7 nM 509.74 COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL2173363 single protein format
CHEMBL2441082 OBDepict H 3 C O O N H N N N N N CH 3 H 3 C F F Ki = 3.7 nM 546.71 COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL2443925 single protein format
CHEMBL4865830 OBDepict OH HN O N N N N H CH 3 N O CH 3 O N IC50 = 4.0 nM 549.68 COc1cc2c(NCC3CCN(c4ncc(C(=O)NO)cn4)CC3)cc(C)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4835060 single protein format
CHEMBL4287479 OBDepict CH 3 O O N H N N N N N N CH 3 CH 3 CH 3 IC50 = 4.0 nM 539.77 COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCN(C)CC3)nc2cc1OCCCN1CCCCC1 Homo sapiens CHEMBL4262303 single protein format
CHEMBL4741874 OBDepict CH 3 N H N N H N CH 3 O CH 3 HN IC50 = 4.31 nM 339.44 CNc1cc(C)nc(Nc2ccc(OC)c(C3=CCNCCC3)c2)n1 Homo sapiens CHEMBL4728050 single protein format
CHEMBL3109634 OBDepict CH 3 O O N NH 2 N F IC50 = 4.8 nM 333.41 COc1cc2c(cc1OCCCN1CC(F)C1)N=C(N)C21CCC1 Homo sapiens CHEMBL3111908 single protein format
CHEMBL3109632 OBDepict H 3 C O O N H 2 N N H 3 C IC50 = 5.0 nM 315.42 COc1cc2c(cc1OCC1CCCN1C)N=C(N)C21CCC1 Homo sapiens CHEMBL3111908 single protein format
CHEMBL1829294 OBDepict CH 3 N N N N HN O O N CH 3 CH 3 CH 3 N IC50 = 5.0 nM 553.8 CCN1CCCN(c2nc(NC3CCN(C(C)C)CC3)c3cc(OC)c(OCCCN4CCCC4)cc3n2)CC1 Homo sapiens CHEMBL1832317 single protein format
CHEMBL4211688 OBDepict H 3 C O O N H N N O N H 3 C CH 3 IC50 = 5.0 nM 532.73 CCc1ccc(-c2cc(NCC3C4CCC3CN(C)C4)c3cc(OC)c(OCCCN4CCCC4)cc3n2)o1 Homo sapiens CHEMBL4195562 single protein format
CHEMBL4173668 OBDepict H 3 C O O N H N N N H 3 C IC50 = 6.0 nM 478.68 COc1cc2c(NC3CCN(C)CC3)cc(C3=CCCCC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4163369 OBDepict H 3 C O O N H N CH 3 N N H 3 C IC50 = 6.0 nM 412.58 COc1cc2c(NC3CCN(C)CC3)cc(C)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4163329 OBDepict CH 3 O O NH N N O HN H 3 C IC50 = 6.0 nM 464.61 COc1cc2c(NC3CCNCC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4458252 OBDepict CH 3 O O N NH 2 N IC50 = 6.0 nM 343.47 COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCCC1 Homo sapiens CHEMBL4323098 single protein format
CHEMBL4756618 OBDepict CH 3 N H N N H N CH 3 Cl HN IC50 = 6.32 nM 343.86 CNc1cc(C)nc(Nc2ccc(Cl)c(C3=CCNCCC3)c2)n1 Homo sapiens CHEMBL4728050 single protein format
CHEMBL4204482 OBDepict H 3 C O O HN N N O CH 3 N CH 3 H 3 C IC50 = 7.0 nM 546.76 COc1cc2c(NC3CC4(CCN(C(C)C)CC4)C3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4195562 single protein format
CHEMBL4173662 OBDepict CH 3 O O NH N N N O H 3 C IC50 = 7.0 nM 464.61 COc1cc2c(NC3CCN(C)CC3)cc(-c3ccoc3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4848955 OBDepict HO NH O N N N NH H 3 C N O CH 3 O CH 3 IC50 = 7.2 nM 452.52 COc1cc2nc(C)cc(NCC3CCN(c4ncc(C(=O)NO)cn4)CC3)c2cc1OC Homo sapiens CHEMBL4835060 single protein format
CHEMBL4170114 OBDepict CH 3 O O NH N N O N H 3 C H 3 C IC50 = 8.0 nM 478.64 COc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4290900 OBDepict CH 3 O O HN N N N N CH 3 CH 3 N N CH 3 IC50 = 8.0 nM 547.75 COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(N3CCN(C)CC3)nc2cc1OCCCN(C)C Homo sapiens CHEMBL4262303 single protein format
CHEMBL1828637 OBDepict H 3 C O O N N H N N N N N CH 3 H 3 C CH 3 H 3 C IC50 = 8.0 nM 581.85 COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCCN(C(C)C)CC3)nc2cc1OCCCN1CCCCC1 Homo sapiens CHEMBL1832317 single protein format
CHEMBL1213903 OBDepict H 3 C O O N N H N N N N N H 3 C CH 3 IC50 = 8.0 nM 511.72 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL1832317 single protein format
CHEMBL1214066 OBDepict H 3 C O O N HN N O N N N N CH 3 CH 3 H 3 C CH 3 IC50 = 9.0 nM 515.7 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C Homo sapiens CHEMBL1832317 single protein format
CHEMBL1829293 OBDepict CH 3 O O N N H N N N N N H 3 C CH 3 CH 3 IC50 = 10.0 nM 539.77 COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL1832317 single protein format
CHEMBL4294283 OBDepict CH 3 O O N CH 3 N N NH N H 3 C N IC50 = 10.0 nM 496.7 COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(CC4CCCCC4)CC3)c2cc1OC Homo sapiens CHEMBL4262303 single protein format
CHEMBL4747198 OBDepict CH 3 N O N H CH 3 N N H 3 C NH H 3 C IC50 = 10.5 nM 367.5 CCN1CC=C(c2cc(Nc3nc(C)cc(NC)n3)ccc2OC)CCC1 Homo sapiens CHEMBL4728050 single protein format
CHEMBL1829306 OBDepict H 3 C O O N H N N N N N N CH 3 IC50 = 11.0 nM 593.86 COc1cc2c(NC3CCN(C4CCCCC4)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCCN1CCCCC1 Homo sapiens CHEMBL1832317 single protein format
CHEMBL4216144 OBDepict H 3 C O O HN N N O N CH 3 CH 3 IC50 = 11.0 nM 504.68 COc1cc2c(NC3CC4(CCN(C)C4)C3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4195562 single protein format
CHEMBL1231795 OBDepict H 3 C O O N H N N N N CH 3 H 3 C IC50 = 12.0 nM 509.74 COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL1832317 single protein format
CHEMBL4177036 OBDepict H 3 C O O N H N N N H 3 C O IC50 = 12.0 nM 480.65 COc1cc2c(NC3CCN(C)CC3)cc(C3=CCOCC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4205373 OBDepict CH 3 O O HN N N O N CH 3 H 3 C IC50 = 13.0 nM 504.68 COc1cc2c(NC3CC4CCC(C3)N4C)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4195562 single protein format
CHEMBL3621579 OBDepict CH 3 O O N CH 3 N NH N H 3 C N IC50 = 13.0 nM 489.66 COc1cc2nc(N3CCCN(C)CC3)cc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC Homo sapiens CHEMBL3624018 single protein format
CHEMBL4203647 OBDepict CH 3 O O NH N N O N H 3 C CH 3 H 3 C IC50 = 13.0 nM 520.72 COc1cc2c(NCC3CCN(C(C)C)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4195562 single protein format
CHEMBL4454542 OBDepict CH 3 O O N N H N N N CH 3 CH 3 Ki = 13.8 nM 523.77 COc1cc2c(cc1OCCCN1CCCC1)N=C(C1CCCCC1)CN=C2NC1CCN(C(C)C)CC1 Homo sapiens CHEMBL4401511 single protein format
CHEMBL2441080 OBDepict H 3 C O O N H N N N N N S CH 3 H 3 C O O IC50 = 14.0 nM 560.77 COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCS(=O)(=O)CC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL2444214 single protein format
CHEMBL4582775 OBDepict CH 3 O N NH N N N N N H 3 C H 3 C IC50 = 14.0 nM 491.68 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1C#CCN1CCCC1 Homo sapiens CHEMBL4350284 cell-based format
CHEMBL4741567 OBDepict CH 3 N H N N H N CH 3 H 3 C HN IC50 = 14.2 nM 323.44 CNc1cc(C)nc(Nc2ccc(C)c(C3=CCNCCC3)c2)n1 Homo sapiens CHEMBL4728050 single protein format
CHEMBL4206035 OBDepict H 3 C O O HN N N O CH 3 N CH 3 IC50 = 15.0 nM 518.7 COc1cc2c(NC3CC4(CCN(C)CC4)C3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4195562 single protein format
CHEMBL4461224 OBDepict H 3 C O N HN N N N CH 3 H 3 C N N CH 3 CH 3 IC50 = 15.0 nM 469.68 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1CCCN(C)C Homo sapiens CHEMBL4350284 cell-based format
CHEMBL4175084 OBDepict HO O N NH O O N CH 3 H 3 C N IC50 = 15.0 nM 494.64 COc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(CO)o3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL576781 OBDepict H 3 C O O N HN N N N CH 3 CH 3 N N CH 3 CH 3 IC50 = 15.0 nM 485.68 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCCN(C)C Homo sapiens CHEMBL1046738 single protein format
CHEMBL4174724 OBDepict CH 3 O O N H N N N CH 3 IC50 = 15.0 nM 474.65 COc1cc2c(NC3CCN(C)CC3)cc(-c3ccccc3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4752510 OBDepict CH 3 N H N N H N CH 3 O CH 3 N H 3 C IC50 = 15.1 nM 353.47 CNc1cc(C)nc(Nc2ccc(OC)c(C3=CCN(C)CCC3)c2)n1 Homo sapiens CHEMBL4728050 single protein format
CHEMBL4783331 OBDepict CH 3 N H N N H N CH 3 N HN IC50 = 15.2 nM 334.43 CNc1cc(C)nc(Nc2ccc(C#N)c(C3=CCNCCC3)c2)n1 Homo sapiens CHEMBL4728050 single protein format
CHEMBL4208004 OBDepict H 3 C O O HN N N O N CH 3 CH 3 IC50 = 16.0 nM 492.66 COc1cc2c(NCC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4195562 single protein format
CHEMBL1829300 OBDepict H 3 C O O N H N N N N N CH 3 H 3 C IC50 = 16.0 nM 510.73 COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCCCC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL1832317 single protein format
CHEMBL4759665 OBDepict CH 3 N H N N H N CH 3 O O CH 3 N IC50 = 16.9 nM 371.49 CNc1cc(C)nc(Nc2ccc(OC)c(OCCCN3CCCC3)c2)n1 Homo sapiens CHEMBL4728050 single protein format
CHEMBL4167925 OBDepict CH 3 O O N H N N N CH 3 O IC50 = 17.0 nM 482.67 COc1cc2c(NC3CCN(C)CC3)cc(C3CCOCC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL3109638 OBDepict H 3 C O O N H 2 N N H F IC50 = 18.0 nM 347.43 COc1cc2c(cc1OCCCN1CC[C@H](F)C1)N=C(N)C21CCC1 Homo sapiens CHEMBL3111908 single protein format
CHEMBL4212905 OBDepict H 3 C O O N H N N O N CH 3 H 3 C IC50 = 18.0 nM 506.69 CCc1ccc(-c2cc(NCC3CCN(C)CC3)c3cc(OC)c(OCCCN4CCCC4)cc3n2)o1 Homo sapiens CHEMBL4195562 single protein format
CHEMBL1829301 OBDepict CH 3 O O N H N N N N N CH 3 CH 3 IC50 = 20.0 nM 524.75 COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCCCCC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL1832317 single protein format
CHEMBL4467219 OBDepict CH 3 O N NH N N N N N H 3 C H 3 C IC50 = 21.0 nM 495.72 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1CCCN1CCCC1 Homo sapiens CHEMBL4350284 cell-based format
CHEMBL4216663 OBDepict CH 3 O O HN N N O N H 3 C H 3 C IC50 = 21.0 nM 518.7 COc1cc2c(NCC3C4CCC3CN(C)C4)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4195562 single protein format
CHEMBL4210033 OBDepict CH 3 O O N H N N O N CH 3 CH 3 IC50 = 21.0 nM 506.69 CCc1ccc(-c2cc(NC3CCN(C)CC3)c3cc(OC)c(OCCCN4CCCCC4)cc3n2)o1 Homo sapiens CHEMBL4195562 single protein format
CHEMBL1829303 OBDepict CH 3 O O NH N N O N N H 3 C CH 3 H 3 C CH 3 IC50 = 21.0 nM 513.73 COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCOCCN(C)C Homo sapiens CHEMBL1832317 single protein format
CHEMBL4162911 OBDepict H 3 C O O HN N N O N CH 3 IC50 = 22.0 nM 504.68 COc1cc2c(NC3CCN(C4CC4)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4454542 OBDepict CH 3 O O N N H N N N CH 3 CH 3 IC50 = 23.0 nM 523.77 COc1cc2c(cc1OCCCN1CCCC1)N=C(C1CCCCC1)CN=C2NC1CCN(C(C)C)CC1 Homo sapiens CHEMBL4401500 single protein format
CHEMBL4176464 OBDepict CH 3 O O NH N N O N CH 3 IC50 = 24.0 nM 518.7 CCc1ccc(-c2cc(NC3CCN(C4CC4)CC3)c3cc(OC)c(OCCCN4CCCC4)cc3n2)o1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL1213957 OBDepict H 3 C O O N N H N N N N N H 3 C CH 3 IC50 = 25.0 nM 525.74 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCCN1CCCCC1 Homo sapiens CHEMBL1832317 single protein format
CHEMBL4286398 OBDepict H 3 C O O H 3 C N H N N N N N CH 3 IC50 = 25.0 nM 482.67 COc1cc2nc(N3CCN(C)CC3)nc(NC3CCN(CC4CCCCC4)CC3)c2cc1OC Homo sapiens CHEMBL4262303 single protein format
CHEMBL4855710 OBDepict HO NH O N N H N O O CH 3 O CH 3 N IC50 = 25.0 nM 599.73 COc1cc2c(NC3CCN(c4ccc(C(=O)NO)cc4)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4835060 single protein format
CHEMBL2441079 OBDepict CH 3 O O NH N N N N N F F F F H 3 C CH 3 IC50 = 26.0 nM 568.66 COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CC(F)(F)C(F)(F)C3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL2444214 single protein format
CHEMBL4166410 OBDepict CH 3 O O NH N N O N H 3 C H 3 C IC50 = 27.0 nM 482.67 COc1cc2c(NC3CCN(C)CC3)cc(C3CCC(C)O3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4753571 OBDepict CH 3 N H N N H N CH 3 O CH 3 N H IC50 = 28.2 nM 341.46 CNc1cc(C)nc(Nc2ccc(OC)c(C3CCCNCC3)c2)n1 Homo sapiens CHEMBL4728050 single protein format
CHEMBL4287643 OBDepict CH 3 O O CH 3 N H N N N H 3 C N CH 3 IC50 = 30.0 nM 399.54 COc1cc2nc(N3CCN(C)CC3)cc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4262303 single protein format
CHEMBL4464846 OBDepict HO N H 3 C O N H 3 C N N HN N CH 3 N CH 3 IC50 = 30.0 nM 499.7 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1CCCN(C)CCO Homo sapiens CHEMBL4350284 cell-based format
CHEMBL3621580 OBDepict H 3 C O O H 3 C N H N N N N CH 3 IC50 = 31.0 nM 475.64 COc1cc2nc(N3CCN(C)CC3)cc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC Homo sapiens CHEMBL3624018 single protein format
CHEMBL1829307 OBDepict H 3 C O O N H N N N N N CH 3 H 3 C IC50 = 31.0 nM 538.78 COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCCCCC3)nc2cc1OCCCN1CCCCC1 Homo sapiens CHEMBL1832317 single protein format
CHEMBL4452780 OBDepict H 3 C O N N H N NH N N N H 3 C CH 3 IC50 = 32.0 nM 495.72 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1CCC1CCCCN1 Homo sapiens CHEMBL4350284 cell-based format
CHEMBL4863011 OBDepict OH HN O N N N HN CH 3 N O CH 3 O N IC50 = 34.0 nM 535.65 COc1cc2c(NC3CCN(c4ncc(C(=O)NO)cn4)CC3)cc(C)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4835060 single protein format
CHEMBL4291978 OBDepict CH 3 O O N H 3 C HN N N H N N CH 3 CH 3 IC50 = 39.0 nM 548.78 CCCCCCOc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC Homo sapiens CHEMBL4262303 single protein format
CHEMBL4284108 OBDepict CH 3 O O N CH 3 N N N H N CH 3 N IC50 = 39.0 nM 560.79 CCCCCCOc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC Homo sapiens CHEMBL4262303 single protein format
CHEMBL2441082 OBDepict H 3 C O O N H N N N N N CH 3 H 3 C F F IC50 = 40.0 nM 546.71 COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL2443912 cell-based format
CHEMBL4164497 OBDepict CH 3 O O N H N N N N CH 3 IC50 = 40.0 nM 475.64 COc1cc2c(NC3CCN(C)CC3)cc(-c3cccnc3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4207331 OBDepict CH 3 O O N H N N O N H 3 C H 3 C IC50 = 41.0 nM 504.68 COc1cc2c(NC3C4CCC3CN(C)C4)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4195562 single protein format
CHEMBL4162967 OBDepict H 3 C O O N H N N N N H 3 C N CH 3 IC50 = 42.0 nM 496.7 COc1cc2c(NC3CCN(C)CC3)cc(N3CCN(C)CC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4159597 OBDepict CH 3 O O NH N N S N H 3 C H 3 C IC50 = 43.0 nM 494.71 COc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)s3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4161915 OBDepict CH 3 O O NH N N N N N H 3 C H 3 C IC50 = 44.0 nM 478.64 COc1cc2c(NC3CCN(C)CC3)cc(-c3ccn(C)n3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4568910 OBDepict H 3 C O N HN N N N CH 3 CH 3 N N CH 3 CH 3 IC50 = 47.0 nM 465.65 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1C#CCN(C)C Homo sapiens CHEMBL4350284 cell-based format
CHEMBL4159955 OBDepict H 3 C N H O N N H O O N CH 3 H 3 C N IC50 = 48.0 nM 521.71 CCNCc1ccc(-c2cc(NC3CCN(C)CC3)c3cc(OC)c(OCCCN4CCCC4)cc3n2)o1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4285987 OBDepict CH 3 O O CH 3 N H N N N N N CH 3 IC50 = 49.0 nM 468.65 COc1cc2nc(N3CCN(C)CC3)nc(NC3CCN(C4CCCCC4)CC3)c2cc1OC Homo sapiens CHEMBL4262303 single protein format
CHEMBL4175132 OBDepict H 3 C O O N H N N N CH 3 H 3 C IC50 = 52.0 nM 488.68 COc1cc2c(NC3CCN(C)CC3)cc(-c3ccccc3C)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137466 single protein format
CHEMBL4850606 OBDepict HO NH O HN N O O CH 3 O H 3 C N IC50 = 55.0 nM 536.67 COc1cc2c(NCC3CCC(C(=O)NO)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4835060 single protein format
CHEMBL4278065 OBDepict CH 3 O O N H 3 C N N N H N H 3 C N IC50 = 55.0 nM 482.67 COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C4CCCCC4)CC3)c2cc1OC Homo sapiens CHEMBL4262303 single protein format
CHEMBL4282606 OBDepict CH 3 O O N H 3 C N N HN N CH 3 N H 3 C CH 3 IC50 = 55.0 nM 442.61 COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C(C)C)CC3)c2cc1OC Homo sapiens CHEMBL4262303 single protein format
CHEMBL4532743 OBDepict CH 3 O N NH N N N O N N H 3 C H 3 C IC50 = 61.0 nM 505.67 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1C#CCN1CCCC1=O Homo sapiens CHEMBL4350284 cell-based format
CHEMBL4208812 OBDepict H 3 C O O HN N N O N CH 3 CH 3 IC50 = 63.0 nM 518.7 COc1cc2c(NC3CCC34CCN(C)CC4)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4195562 single protein format