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Q9H9B1 | EHMT1_HUMAN | Histone-lysine N-methyltransferase EHMT1 (EHMT1)

3D structures mapped by conservation among orthologs

[ Domain: "Ankyrin repeat" // Ank_2 ]

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

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

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

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL2441082 OBDepict H 3 C O O N H N N N N N CH 3 H 3 C F F IC50 < 2.5 nM 546.71 COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL2443924 single protein format
CHEMBL4094717 OBDepict CH 3 O O H 3 C NH N N N CH 3 N CH 3 IC50 = 4.0 nM 399.54 COc1cc2nc(N(C)C3CCCC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL578227 OBDepict CH 3 O O CH 3 HN N N N N CH 3 N CH 3 IC50 = 4.0 nM 414.55 COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4005607 assay format
CHEMBL4072211 OBDepict CH 3 N CH 3 N N N H O O H 3 C N CH 3 H 3 C IC50 = 5.0 nM 373.5 CCCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Homo sapiens CHEMBL4056671 assay format
CHEMBL4100004 OBDepict CH 3 O O CH 3 NH N N N CH 3 N H 3 C IC50 = 6.0 nM 413.57 COc1cc2nc(N(C)C3CCCCC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4582775 OBDepict CH 3 O N NH N N N N N H 3 C H 3 C IC50 = 6.0 nM 491.68 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1C#CCN1CCCC1 Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4066769 OBDepict H 3 C O O H 3 C N H N N N CH 3 O IC50 = 6.0 nM 386.5 COc1cc2nc(N3CCOCC3)cc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4086403 OBDepict H 3 C NH N N N H O O H 3 C N CH 3 H 3 C IC50 = 7.0 nM 401.56 CCCCCCNc1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Homo sapiens CHEMBL4005607 assay format
CHEMBL4467219 OBDepict CH 3 O N NH N N N N N H 3 C H 3 C IC50 = 9.0 nM 495.72 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1CCCN1CCCC1 Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4461224 OBDepict H 3 C O N HN N N N CH 3 H 3 C N N CH 3 CH 3 IC50 = 9.0 nM 469.68 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1CCCN(C)C Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4568910 OBDepict H 3 C O N HN N N N CH 3 CH 3 N N CH 3 CH 3 IC50 = 11.0 nM 465.65 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1C#CCN(C)C Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4085546 OBDepict CH 3 N N H N N N O CH 3 O O H 3 C IC50 = 11.0 nM 415.54 CCCN1CCC(Nc2nc(N3CCOCC3)nc3cc(OC)c(OC)cc23)CC1 Homo sapiens CHEMBL4005607 assay format
CHEMBL4088064 OBDepict H 3 C NH N N H O O H 3 C N CH 3 H 3 C IC50 = 11.0 nM 400.57 CCCCCCNc1cc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Homo sapiens CHEMBL4056671 assay format
CHEMBL576260 OBDepict CH 3 O O CH 3 N H N N N H 3 C CH 3 N H 3 C IC50 = 11.0 nM 345.45 COc1cc2nc(N(C)C)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4464846 OBDepict HO N H 3 C O N H 3 C N N HN N CH 3 N CH 3 IC50 = 12.0 nM 499.7 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1CCCN(C)CCO Homo sapiens CHEMBL4350283 cell-based format
CHEMBL570120 OBDepict H 3 C O O H 3 C N H N N N N CH 3 IC50 = 12.0 nM 385.51 COc1cc2nc(N3CCCCC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4005607 assay format
CHEMBL4063569 OBDepict CH 3 O O H 3 C N H N N N N CH 3 IC50 = 12.0 nM 371.49 COc1cc2nc(N3CCCC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4005607 assay format
CHEMBL4093293 OBDepict CH 3 O O CH 3 N H N N N N O IC50 = 12.0 nM 413.52 COc1cc2nc(N3CCOCC3)nc(NC3CCN(C4CC4)CC3)c2cc1OC Homo sapiens CHEMBL4005607 assay format
CHEMBL4532743 OBDepict CH 3 O N NH N N N O N N H 3 C H 3 C IC50 = 12.0 nM 505.67 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1C#CCN1CCCC1=O Homo sapiens CHEMBL4350283 cell-based format
CHEMBL571717 OBDepict H 3 C O O H 3 C N H N N N N CH 3 O IC50 = 13.0 nM 387.48 COc1cc2nc(N3CCOCC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4005607 assay format
CHEMBL4795328 OBDepict CH 3 N H N N H N CH 3 O F F HN IC50 = 14.7 nM 375.42 CNc1cc(C)nc(Nc2ccc(OC(F)F)c(C3=CCNCCC3)c2)n1 Homo sapiens CHEMBL4728051 single protein format
CHEMBL4072569 OBDepict H 3 C O O H 3 C N H N N N N O CH 3 CH 3 IC50 = 15.0 nM 415.54 COc1cc2nc(N3CCOCC3)nc(NC3CCN(C(C)C)CC3)c2cc1OC Homo sapiens CHEMBL4005607 assay format
CHEMBL4097286 OBDepict CH 3 O O H 3 C NH N N N N CH 3 IC50 = 16.0 nM 399.54 COc1cc2nc(N3CCCCCC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4005607 assay format
CHEMBL4460703 OBDepict CH 3 O N NH N N N O N N H 3 C H 3 C IC50 = 16.0 nM 509.7 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1CCCN1CCCC1=O Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4074209 OBDepict H 3 C O O CH 3 N H N N N CH 3 N H 3 C IC50 = 17.0 nM 385.51 COc1cc2nc(N(C)C3CCC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4081938 OBDepict CH 3 N CH 3 N N N H O O CH 3 N CH 3 CH 3 IC50 = 18.0 nM 415.58 CCCCCCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Homo sapiens CHEMBL4005607 assay format
CHEMBL4084508 OBDepict CH 3 O O CH 3 N H N N N CH 3 N H 3 C CH 3 H 3 C IC50 = 18.0 nM 373.5 COc1cc2nc(N(C)C(C)C)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4092975 OBDepict CH 3 N CH 3 N N N H O O H 3 C N H 3 C CH 3 IC50 = 18.0 nM 359.47 CCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Homo sapiens CHEMBL4056671 assay format
CHEMBL1231795 OBDepict H 3 C O O N H N N N N CH 3 H 3 C IC50 = 19.0 nM 509.74 COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL2173362 single protein format
CHEMBL4435107 OBDepict CH 3 O NH N N N CH 3 H 3 C N H 3 C CH 3 IC50 = 19.0 nM 463.67 COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1C#CCN(C)C Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4452780 OBDepict H 3 C O N N H N NH N N N H 3 C CH 3 IC50 = 19.0 nM 495.72 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1CCC1CCCCN1 Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4560792 OBDepict H 3 C O HN N N N CH 3 H 3 C N CH 3 H 3 C IC50 = 19.0 nM 467.7 COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1CCCN(C)C Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4063767 OBDepict CH 3 N N N H 3 C N H O O H 3 C N CH 3 H 3 C IC50 = 20.0 nM 387.53 CCCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Homo sapiens CHEMBL4056671 assay format
CHEMBL576781 OBDepict H 3 C O O N HN N N N CH 3 CH 3 N N CH 3 CH 3 IC50 = 20.0 nM 485.68 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCCN(C)C Homo sapiens CHEMBL1047554 single protein format
CHEMBL4069640 OBDepict HO N CH 3 N N N H O O CH 3 N H 3 C H 3 C IC50 = 20.0 nM 375.47 COc1cc2nc(N(C)CCO)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4068291 OBDepict CH 3 O O N CH 3 N N HN CH 3 N CH 3 IC50 = 20.0 nM 427.59 COc1cc2nc(N(C)CC3CCCCC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL585180 OBDepict CH 3 N N N H 3 C N H O O CH 3 N CH 3 H 3 C IC50 = 23.0 nM 373.5 CCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Homo sapiens CHEMBL4056671 assay format
CHEMBL4105129 OBDepict CH 3 N N N CH 3 N H O O CH 3 N CH 3 CH 3 IC50 = 23.0 nM 401.56 CCCCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Homo sapiens CHEMBL4056671 assay 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 = 23.0 nM 515.7 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C Homo sapiens CHEMBL1217454 single protein format
CHEMBL4075387 OBDepict CH 3 O O CH 3 N H N N N CH 3 N H 3 C N CH 3 CH 3 IC50 = 24.0 nM 402.54 COc1cc2nc(N(C)CCN(C)C)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4093972 OBDepict CH 3 O O CH 3 N H N N HN N H 3 C CH 3 CH 3 H 3 C IC50 = 24.0 nM 387.53 COc1cc2nc(NCC(C)(C)C)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4063977 OBDepict CH 3 N N H N N N O H 3 C O O H 3 C IC50 = 26.0 nM 401.51 CCN1CCC(Nc2nc(N3CCOCC3)nc3cc(OC)c(OC)cc23)CC1 Homo sapiens CHEMBL4005607 assay format
CHEMBL4552592 OBDepict CH 3 O NH N N N O N H 3 C CH 3 IC50 = 27.0 nM 503.69 COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1C#CCN1CCCC1=O Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4104425 OBDepict CH 3 O O N H 3 C NH N N H N H 3 C H 3 C CH 3 IC50 = 27.0 nM 415.58 COc1cc2nc(NCCCCC(C)C)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4756618 OBDepict CH 3 N H N N H N CH 3 Cl HN IC50 = 27.1 nM 343.86 CNc1cc(C)nc(Nc2ccc(Cl)c(C3=CCNCCC3)c2)n1 Homo sapiens CHEMBL4728051 single protein format
CHEMBL4099939 OBDepict CH 3 N CH 3 N N N H O O H 3 C N H 3 C H 3 C IC50 = 28.0 nM 401.56 CCCCCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Homo sapiens CHEMBL4005607 assay format
CHEMBL4064559 OBDepict CH 3 O O CH 3 N H N N N CH 3 N H 3 C H 3 C CH 3 IC50 = 28.0 nM 387.53 COc1cc2nc(N(C)CC(C)C)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4092930 OBDepict H 3 C O CH 3 HN N N N N CH 3 O IC50 = 29.0 nM 371.49 COc1cc2c(NC3CCN(C)CC3)nc(N3CCOCC3)nc2cc1C Homo sapiens CHEMBL4005607 assay format
CHEMBL4102467 OBDepict CH 3 O O H 3 C N H N N N CH 3 N CH 3 IC50 = 30.0 nM 371.49 COc1cc2nc(N(C)C3CC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4741874 OBDepict CH 3 N H N N H N CH 3 O CH 3 HN IC50 = 32.3 nM 339.44 CNc1cc(C)nc(Nc2ccc(OC)c(C3=CCNCCC3)c2)n1 Homo sapiens CHEMBL4728051 single protein format
CHEMBL4067656 OBDepict H 3 C O O H 3 C N H N N N CH 3 IC50 = 34.0 nM 384.52 COc1cc2nc(C3CCCCC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4005607 assay format
CHEMBL4078544 OBDepict H 3 C NH N N N H O O H 3 C N CH 3 H 3 C IC50 = 35.0 nM 373.5 CCCCNc1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Homo sapiens CHEMBL4005607 assay format
CHEMBL4555461 OBDepict H 3 C O N CH 3 N N NH N H 3 C N CH 3 IC50 = 35.0 nM 412.58 CCc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4094167 OBDepict CH 3 N H 3 C N N N H O O CH 3 N H 3 C H 3 C IC50 = 35.0 nM 387.53 CCCCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Homo sapiens CHEMBL4005607 assay format
CHEMBL4101782 OBDepict CH 3 N N N H 3 C N H O O CH 3 N H 3 C H 3 C IC50 = 36.0 nM 415.58 CCCCN(CCC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Homo sapiens CHEMBL4056671 assay format
CHEMBL3109630 OBDepict H 3 C O O N H 2 N N IC50 = 38.0 nM 329.44 COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 Homo sapiens CHEMBL3111724 single protein format
CHEMBL4438513 OBDepict CH 3 N O N H 3 C N N N H N H 3 C N H 3 C IC50 = 41.0 nM 495.72 CCN1CCC(c2cc3nc(N4CCCN(C)CC4)nc(NC4CCN(C)CC4)c3cc2OC)CC1 Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4092251 OBDepict CH 3 O O CH 3 NH N N N CH 3 N H 3 C IC50 = 43.0 nM 407.52 COc1cc2nc(N(C)c3ccccc3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4783331 OBDepict CH 3 N H N N H N CH 3 N HN IC50 = 43.2 nM 334.43 CNc1cc(C)nc(Nc2ccc(C#N)c(C3=CCNCCC3)c2)n1 Homo sapiens CHEMBL4728051 single protein format
CHEMBL4066625 OBDepict CH 3 N H N N N H O O CH 3 N CH 3 CH 3 IC50 = 44.0 nM 415.58 CCCCCCCNc1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Homo sapiens CHEMBL4005607 assay format
CHEMBL4460246 OBDepict H 3 C O N N H N N N CH 3 N CH 3 H 3 C IC50 = 44.0 nM 480.7 COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1N1CCN(C)CC1 Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4747198 OBDepict CH 3 N O N H CH 3 N N H 3 C NH H 3 C IC50 = 44.1 nM 367.5 CCN1CC=C(c2cc(Nc3nc(C)cc(NC)n3)ccc2OC)CCC1 Homo sapiens CHEMBL4728051 single protein format
CHEMBL4090654 OBDepict CH 3 O O N CH 3 N N HN CH 3 N CH 3 IC50 = 46.0 nM 421.55 COc1cc2nc(N(C)Cc3ccccc3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4474688 OBDepict NH 2 O N CH 3 N N NH N H 3 C N CH 3 IC50 = 47.0 nM 451.62 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1C#CCCN Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4095652 OBDepict CH 3 O O CH 3 N H N N N CH 3 N H 3 C CH 3 CH 3 H 3 C IC50 = 50.0 nM 401.56 COc1cc2nc(N(C)CC(C)(C)C)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4082847 OBDepict CH 3 O N H 3 C N N N H O O CH 3 N H 3 C H 3 C IC50 = 58.0 nM 389.5 COCCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Homo sapiens CHEMBL4056671 assay format
CHEMBL4080189 OBDepict OH NH N N N H O O H 3 C N CH 3 H 3 C IC50 = 59.0 nM 417.55 COc1cc2nc(NCCCCCCO)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4104299 OBDepict CH 3 N H N N N H O O H 3 C N H 3 C H 3 C IC50 = 63.0 nM 387.53 CCCCCNc1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Homo sapiens CHEMBL4005607 assay format
CHEMBL4476055 OBDepict H 2 N NH O O N H 3 C N N HN N CH 3 N CH 3 IC50 = 70.0 nM 470.62 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1NC(=O)CCN Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4072358 OBDepict OH N CH 3 N N N H O O CH 3 N CH 3 H 3 C IC50 = 73.0 nM 389.5 COc1cc2nc(N(C)CCCO)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4752510 OBDepict CH 3 N H N N H N CH 3 O CH 3 N H 3 C IC50 = 74.1 nM 353.47 CNc1cc(C)nc(Nc2ccc(OC)c(C3=CCN(C)CCC3)c2)n1 Homo sapiens CHEMBL4728051 single protein format
CHEMBL4083783 OBDepict CH 3 O O CH 3 HN N N N H N CH 3 IC50 = 77.0 nM 399.54 COc1cc2nc(NC3CCCCC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4475124 OBDepict HO N H 3 C O N H 3 C N N HN N CH 3 N CH 3 IC50 = 78.0 nM 495.67 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1C#CCN(C)CCO Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4564339 OBDepict H 3 C N N F N N NH N H 3 C CH 3 IC50 = 94.0 nM 468.67 CC(C)N1CCC(Nc2nc(C3CCCCC3)nc3cc(N4CCN(C)CC4)c(F)cc23)CC1 Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4079262 OBDepict CH 3 O O CH 3 N H N N N N H 3 C F F IC50 = 97.0 nM 421.49 COc1cc2nc(N3CCC(F)(F)CC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4005607 assay format
CHEMBL1214186 OBDepict NH 2 N N N N H O H OH H H HO NH 2 H NH 2 H O HO IC50 = 100.0 nM 381.39 Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4044676 single protein format
CHEMBL1232453 OBDepict H 2 N O O N H 3 C NH N N H N N CH 3 H 3 C NH 2 IC50 = 100.0 nM 544.79 COc1cc2c(NC3CCN(CCCCCN)CC3)nc(NCCCN(C)C)nc2cc1OCCCCCN Homo sapiens CHEMBL3421448 single protein format
CHEMBL4741567 OBDepict CH 3 N H N N H N CH 3 H 3 C HN IC50 = 109.0 nM 323.44 CNc1cc(C)nc(Nc2ccc(C)c(C3=CCNCCC3)c2)n1 Homo sapiens CHEMBL4728051 single protein format
CHEMBL4558425 OBDepict H 2 N NH O O N H 3 C N N HN N CH 3 N CH 3 IC50 = 122.0 nM 498.68 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1NC(=O)CCCCN Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4076634 OBDepict H 3 C O NH N N N H O O H 3 C N CH 3 H 3 C IC50 = 135.0 nM 375.47 COCCNc1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1 Homo sapiens CHEMBL4056671 assay format
CHEMBL4580258 OBDepict H 3 C O HN N HN N O N N CH 3 CH 3 N N CH 3 CH 3 IC50 = 150.0 nM 498.68 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1NC(=O)CCN(C)C Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4570643 OBDepict H 3 C N H O N CH 3 N N NH N H 3 C N CH 3 IC50 = 152.0 nM 451.62 CNCC#Cc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4073147 OBDepict CH 3 O O CH 3 NH N N N CH 3 N H 3 C O IC50 = 159.0 nM 415.54 COc1cc2nc(N(C)C3CCOCC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4056671 assay format
CHEMBL4445273 OBDepict NH 2 O N CH 3 N NH N H 3 C CH 3 IC50 = 179.0 nM 439.65 COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1CCCN Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4162206 OBDepict H 3 C O O N H N N N CH 3 H 3 C IC50 = 180.0 nM 508.75 COc1cc2c(NC3CCN(C(C)C)CC3)cc(C3CCCCC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4137477 single protein format
CHEMBL4759665 OBDepict CH 3 N H N N H N CH 3 O O CH 3 N IC50 = 185.0 nM 371.49 CNc1cc(C)nc(Nc2ccc(OC)c(OCCCN3CCCC3)c2)n1 Homo sapiens CHEMBL4728051 single protein format
CHEMBL4483418 OBDepict CH 3 O NH N N N O N H 3 C CH 3 IC50 = 205.0 nM 507.72 COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1CCCN1CCCC1=O Homo sapiens CHEMBL4350283 cell-based format
CHEMBL418052 OBDepict NH 2 N N N N H O H OH H H HO S NH 2 H O HO IC50 = 230.0 nM 384.42 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL3399061 single protein format
CHEMBL4779949 OBDepict CH 3 N H N N H N CH 3 O CH 3 N H 3 C IC50 = 277.0 nM 339.44 CNc1cc(C)nc(Nc2ccc(OC)c(C3=CCN(C)CC3)c2)n1 Homo sapiens CHEMBL4728051 single protein format
CHEMBL4454215 OBDepict H 3 C O N CH 3 N N NH N H 3 C N CH 3 IC50 = 280.0 nM 426.61 CCCc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4449387 OBDepict H 2 N NH NH O O N H 3 C N N HN N CH 3 N CH 3 IC50 = 300.0 nM 499.66 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1NC(=O)NCCCN Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4096568 OBDepict H 3 C O O H 3 C N H N N N CH 3 O IC50 = 341.0 nM 386.5 COc1cc2nc(C3CCOCC3)nc(NC3CCN(C)CC3)c2cc1OC Homo sapiens CHEMBL4005607 assay format
CHEMBL4753571 OBDepict CH 3 N H N N H N CH 3 O CH 3 N H IC50 = 342.0 nM 341.46 CNc1cc(C)nc(Nc2ccc(OC)c(C3CCCNCC3)c2)n1 Homo sapiens CHEMBL4728051 single protein format
CHEMBL4747939 OBDepict CH 3 N H N N H N CH 3 O CH 3 N H IC50 = 479.0 nM 339.44 CNc1cc(C)nc(Nc2ccc(OC)c(C3=CCCNCC3)c2)n1 Homo sapiens CHEMBL4728051 single protein format
CHEMBL4531347 OBDepict H 3 C O N HN N HN N O CH 3 N N CH 3 CH 3 IC50 = 529.0 nM 483.66 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1CCCNC(C)=O Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4521601 OBDepict CH 3 O O H 2 N NH N N N N CH 3 N H 3 C IC50 = 642.0 nM 427.55 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1C(N)=O Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4576128 OBDepict CH 3 O HN N N N CH 3 CH 3 N CH 3 H 3 C IC50 = 647.0 nM 481.73 CCOc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1CCCN(C)C Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4472965 OBDepict H 2 N O N H 3 C N N HN N CH 3 N CH 3 IC50 = 679.0 nM 437.59 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1C#CCN Homo sapiens CHEMBL4350283 cell-based format
CHEMBL4459846 OBDepict H 3 C O N HN N NH N O CH 3 N N CH 3 CH 3 IC50 = 698.0 nM 479.63 COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1C#CCNC(C)=O Homo sapiens CHEMBL4350283 cell-based format
CHEMBL569864 OBDepict CH 3 O O N CH 3 N N NH N H 3 C N IC50 = 700.0 nM 490.65 COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC Homo sapiens CHEMBL1047550 single protein format