HOME LIGAND hPROTEOME OTHERS DOCUMENT

P61073 | CXCR4_HUMAN | C-X-C chemokine receptor type 4 (CXCR4)

3D structures mapped by conservation among orthologs

[ Domain: "Lysozyme-like" // Phage_lysozyme_2 ]

download pymol session

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_1 ]

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
CHEMBL237830 OBDepict N NH N H N IC50 = 0.3 nM 290.37 c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 Homo sapiens CHEMBL4132832 cell-based format
CHEMBL1242210 OBDepict OH N N N N H 3 C H N N CH 3 IC50 = 0.34 nM 420.56 CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1 Homo sapiens CHEMBL1245762 cell-based format
CHEMBL1242211 OBDepict CH 3 N CH 3 N CH 3 N N N N N CH 3 H IC50 = 0.61 nM 479.72 CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 Homo sapiens CHEMBL4197987 cell-based format
CHEMBL18442 OBDepict HN N H N NH N N H HN HN IC50 = 0.81 nM 502.8 c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1 Homo sapiens CHEMBL977795 cell-based format
CHEMBL4457992 OBDepict N H N H N N H N N N IC50 = 1.6 nM 551.78 c1ccc(CN(Cc2ccc3c(CN4CCCNCCNCCCNCC4)cccc3c2)Cc2ccccn2)nc1 Homo sapiens CHEMBL4370844 cell-based format
CHEMBL1096504 OBDepict H 3 C N CH 3 N N CH 3 H N IC50 = 3.4 nM 388.56 CN(C)CCCc1c(CN(C)[C@H]2CCCc3cccnc32)ncc2ccccc12 Homo sapiens CHEMBL1110059 cell-based format
CHEMBL4451705 OBDepict N H N H N N H N N N N IC50 = 3.5 nM 578.81 c1ccc(CN(Cc2ccnc(-c3cccc(CN4CCCNCCNCCCNCC4)c3)c2)Cc2ccccn2)nc1 Homo sapiens CHEMBL4370844 cell-based format
CHEMBL4529751 OBDepict N H N H N N H N N N N IC50 = 4.5 nM 578.81 c1ccc(CN(Cc2ccc(-c3ncccc3CN3CCCNCCNCCCNCC3)cc2)Cc2ccccn2)nc1 Homo sapiens CHEMBL4370844 cell-based format
CHEMBL1092637 OBDepict H 3 C N H 3 C H N N N H 3 C H N IC50 = 4.5 nM 431.63 CC(C)N1CCC[C@H](Cn2c(CN(C)[C@H]3CCCc4cccnc43)nc3ccccc32)C1 Homo sapiens CHEMBL1117018 single protein format
CHEMBL3986210 OBDepict NH 2 N N N N CH IC50 = 5.5 nM 437.59 C#CCn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc43)c21 Homo sapiens CHEMBL3888299 cell-based format
CHEMBL3919988 OBDepict NH 2 N N N N N O O IC50 = 5.6 nM 526.69 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCOCC3)c12)C1CCCc2cccnc21 Homo sapiens CHEMBL3888299 cell-based format
CHEMBL3954720 OBDepict NH 2 N N N N N HN IC50 = 5.7 nM 511.72 NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCNCC3)c12)C1CCCc2cccnc21 Homo sapiens CHEMBL3888299 cell-based format
CHEMBL4548792 OBDepict N H N H N N H N N N IC50 = 5.7 nM 577.82 c1ccc(CN(Cc2ccc(-c3ccccc3CN3CCCNCCNCCCNCC3)cc2)Cc2ccccn2)nc1 Homo sapiens CHEMBL4370844 cell-based format
CHEMBL3981053 OBDepict H 2 N N N N N O H 2 N IC50 = 5.8 nM 456.59 NCCCCN(Cc1nccc2c3ccccc3n(CC(N)=O)c12)C1CCCc2cccnc21 Homo sapiens CHEMBL3888299 cell-based format
CHEMBL3911032 OBDepict H 2 N N N N N H 2 N IC50 = 7.3 nM 456.64 NCCCCN(Cc1nccc2c3ccccc3n(CCCN)c12)C1CCCc2cccnc21 Homo sapiens CHEMBL3888299 cell-based format
CHEMBL3975192 OBDepict NH 2 N N N N N O IC50 = 7.7 nM 512.7 NCCCCN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)C1CCCc2cccnc21 Homo sapiens CHEMBL3888299 cell-based format
CHEMBL4568686 OBDepict N H N H N N H N N N IC50 = 7.9 nM 577.82 c1ccc(CN(Cc2ccccn2)Cc2ccccc2-c2cccc(CN3CCCNCCNCCCNCC3)c2)nc1 Homo sapiens CHEMBL4370844 cell-based format
CHEMBL460491 OBDepict CH 3 CH 3 N N S S N N H IC50 = 8.0 nM 406.67 CC1(C)CN2C(CS/C(=NC3CCCCC3)NC3CCCCC3)=CSC2=N1 Homo sapiens CHEMBL958139 cell-based format
CHEMBL4162225 OBDepict H 3 C N S O O N IC50 = 8.0 nM 344.48 CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCCC2)cc1 Homo sapiens CHEMBL4132832 cell-based format
CHEMBL3900826 OBDepict NH 2 N N N N I O O IC50 = 8.1 nM 583.47 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)I=O)c12)C1CCCc2cccnc21 Homo sapiens CHEMBL3888299 cell-based format
CHEMBL4763585 OBDepict CH 3 N H N N N N CH 3 H H 3 C N H H 3 C H 3 C IC50 = 8.3 nM 394.57 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2C[C@H](C)N(C)[C@H](C)C2)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL4741926 OBDepict CH 3 N H N N N N CH 3 N H H 3 C H 3 C IC50 = 8.3 nM 380.54 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)[C@H](C)C2)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL3934822 OBDepict H 2 N N N N N N N H IC50 = 8.3 nM 525.75 NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3)c12)C1CCCc2cccnc21 Homo sapiens CHEMBL3888299 cell-based format
CHEMBL518501 OBDepict CH 3 CH 3 N N S S N N H IC50 = 8.8 nM 434.72 CC1(C)CN2C(CS/C(=NC3CCCCCC3)NC3CCCCCC3)=CSC2=N1 Homo sapiens CHEMBL958139 cell-based format
CHEMBL4751485 OBDepict CH 3 N N N N CH 3 N CH 3 H N IC50 = 8.8 nM 366.51 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL4170138 OBDepict H 3 C N S O O N IC50 = 8.9 nM 358.51 CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCCCC2)cc1 Homo sapiens CHEMBL4132832 cell-based format
CHEMBL3906863 OBDepict NH N N N N N N O IC50 = 9.3 nM 567.78 c1cnc2c(c1)CCCC2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12 Homo sapiens CHEMBL3888299 cell-based format
CHEMBL3896614 OBDepict NH 2 N N N N N O H CH 3 O H H 3 C IC50 = 9.9 nM 554.74 C[C@H]1CN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)C4CCCc5cccnc54)c32)C[C@@H](C)O1 Homo sapiens CHEMBL3888299 cell-based format
CHEMBL4531581 OBDepict N H N H N N H N N N IC50 = 10.0 nM 551.78 c1ccc(CN(Cc2ccc3cc(CN4CCCNCCNCCCNCC4)ccc3c2)Cc2ccccn2)nc1 Homo sapiens CHEMBL4370844 cell-based format
CHEMBL4776865 OBDepict H 3 C N N N N CH 3 N CH 3 H N IC50 = 10.0 nM 380.54 CCN1CCN(c2cc(CN(C)[C@H]3CCCc4cccnc43)nc(C)n2)CC1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL1682996 OBDepict NH 2 N H N N NH 2 IC50 = 10.9 nM 325.46 NCCCCN(Cc1ncccc1N)[C@H]1CCCc2cccnc21 Homo sapiens CHEMBL1685196 cell-based format
CHEMBL4218006 OBDepict O N N N N N H H N N S H 3 C IC50 = 11.0 nM 543.74 Cc1ccsc1CN1CCC2(CC1)CCN(Cc1ccc(C(=O)N(Cc3ncc[nH]3)Cc3ncc[nH]3)cc1)C2 Homo sapiens CHEMBL4197988 single protein format
CHEMBL4162534 OBDepict Br N N H O N H N N IC50 = 11.0 nM 408.26 O=C(NNc1cnccn1)c1ccccc1-n1ccc2cc(Br)ccc21 Homo sapiens CHEMBL4132830 cell-based format
CHEMBL3947305 OBDepict NH 2 N N N N N O N H 3 C IC50 = 11.0 nM 539.73 CN1CCN(C(=O)Cn2c3ccccc3c3ccnc(CN(CCCCN)C4CCCc5cccnc54)c32)CC1 Homo sapiens CHEMBL3888299 cell-based format
CHEMBL4742656 OBDepict CH 3 N N N F CH 3 N N CH 3 N IC50 = 12.0 nM 384.5 Cc1nc(CN(C)C2CCCc3cccnc32)c(F)c(N2CCN(C)CC2)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL3929341 OBDepict HO N N N N N N H IC50 = 12.0 nM 498.68 OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21 Homo sapiens CHEMBL3888299 cell-based format
CHEMBL4778921 OBDepict CH 3 N N N N CH 3 N CH 3 N IC50 = 12.0 nM 366.51 Cc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL3892446 OBDepict NH 2 N N N N N O HO IC50 = 12.0 nM 540.71 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)N3CCC(O)CC3)c12)C1CCCc2cccnc21 Homo sapiens CHEMBL3888299 cell-based format
CHEMBL3920438 OBDepict NH 2 N N N N N H O HN IC50 = 12.0 nM 539.73 NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)NC3CCNCC3)c12)C1CCCc2cccnc21 Homo sapiens CHEMBL3888299 cell-based format
CHEMBL2367715 OBDepict NH 2 NH HN N H H N H O O CH 3 H N H N IC50 = 13.0 nM 551.7 C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(CNCc2ccccn2)cc1)c1cccc2ccccc12 Homo sapiens CHEMBL4197981 cell-based format
CHEMBL518924 OBDepict NH 2 N H N N N H IC50 = 13.0 nM 349.48 NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 Homo sapiens CHEMBL1108001 cell-based format
CHEMBL4779872 OBDepict CH 3 N H N N N N CH 3 N H H 3 C H 3 C IC50 = 14.0 nM 380.54 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)[C@@H](C)C2)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL4756203 OBDepict H 3 C N N H CH 3 N N CH 3 N CH 3 H N IC50 = 14.0 nM 380.54 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)C[C@@H]2C)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL3091687 OBDepict NH 2 N H N H N H IC50 = 15.0 nM 364.54 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 Homo sapiens CHEMBL3097219 single protein format
CHEMBL3897853 OBDepict O N N O N N N N NH IC50 = 15.0 nM 581.77 O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21)N1CCOCC1 Homo sapiens CHEMBL3888299 cell-based format
CHEMBL4213081 OBDepict CH 3 CH 3 N N N O N N N N H H IC50 = 15.0 nM 489.67 CC(C)CN1CCC2(CCN(Cc3ccc(C(=O)N(Cc4ncc[nH]4)Cc4ncc[nH]4)cc3)CC2)C1 Homo sapiens CHEMBL4197988 single protein format
CHEMBL1094864 OBDepict CH 3 N H 3 C HN O N N CH 3 H N IC50 = 16.0 nM 417.56 CN(C)CC(=O)NCc1c(CN(C)[C@H]2CCCc3cccnc32)ncc2ccccc12 Homo sapiens CHEMBL1110059 cell-based format
CHEMBL1682997 OBDepict H 2 N N CH 3 H N N N H IC50 = 16.6 nM 323.44 C[C@@H](c1ccccn1)N(CCCCN)Cc1nc2ccccc2[nH]1 Homo sapiens CHEMBL1685196 cell-based format
CHEMBL4741628 OBDepict CH 3 N N N N N CH 3 N CH 3 IC50 = 17.0 nM 380.54 CCN(Cc1cc(N2CCN(C)CC2)nc(C)n1)C1CCCc2cccnc21 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL4762425 OBDepict CH 3 N H N N N N CH 3 N H IC50 = 18.0 nM 392.55 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN3CCC[C@H]3C2)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL4203303 OBDepict CH 3 N N N N N N HN O O CH 3 CH 3 H 3 C IC50 = 18.0 nM 509.7 CN1CCN(c2cc(CN(CCCCNC(=O)OC(C)(C)C)C3CCCc4cccnc43)ncn2)CC1 Homo sapiens CHEMBL4197802 cell-based format
CHEMBL4214538 OBDepict NH 2 N N N N N N CH 3 IC50 = 18.0 nM 409.58 CN1CCN(c2cc(CN(CCCCN)C3CCCc4cccnc43)ncn2)CC1 Homo sapiens CHEMBL4197802 cell-based format
CHEMBL3908835 OBDepict CH 3 N H N N H H 3 C IC50 = 19.6 nM 345.49 CCc1ccc(NCc2cccc(CNc3ccc(CC)cc3)n2)cc1 Homo sapiens CHEMBL3862909 cell-based format
CHEMBL1644080 OBDepict NH 2 N N H N N N H IC50 = 19.8 nM 398.51 NCc1ncccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 Homo sapiens CHEMBL1646841 cell-based format
CHEMBL3091694 OBDepict H 2 N N H N H N H 3 C CH 3 IC50 = 20.0 nM 406.62 CC(C)N1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 Homo sapiens CHEMBL3097228 cell-based format
CHEMBL3091693 OBDepict NH 2 N H N H N H 3 C IC50 = 20.0 nM 378.56 CN1Cc2ccccc2C[C@@H]1CN(CCCCN)[C@H]1CCCc2cccnc21 Homo sapiens CHEMBL3097228 cell-based format
CHEMBL4749835 OBDepict H 3 C N N H CH 3 N N CH 3 N CH 3 H N IC50 = 21.0 nM 380.54 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C)C[C@H]2C)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL1088913 OBDepict H 2 N N N N N H IC50 = 22.0 nM 349.48 NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21 Homo sapiens CHEMBL1108001 cell-based format
CHEMBL4757478 OBDepict CH 3 N N N N N CH 3 N IC50 = 23.0 nM 392.55 CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(C3CC3)n2)CC1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL4762385 OBDepict CH 3 N N N N NH 2 N CH 3 N IC50 = 23.0 nM 367.5 CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(N)n2)CC1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL4068500 OBDepict H 3 C N N H N NH N N N HN N H N H IC50 = 23.9 nM 484.7 Cc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Homo sapiens CHEMBL4028335 cell-based format
CHEMBL4741655 OBDepict H 3 C O N N N N CH 3 N N CH 3 IC50 = 25.0 nM 382.51 COc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL508054 OBDepict N H N S N S N IC50 = 25.0 nM 406.67 C1=C(CS/C(=NC2CCCCCC2)NC2CCCCCC2)N2CCN=C2S1 Homo sapiens CHEMBL958139 cell-based format
CHEMBL4755917 OBDepict H 3 C N N N N CH 3 N N CH 3 IC50 = 25.0 nM 380.54 CCc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL4060426 OBDepict NH 2 O N N H N N H N CH 3 N N N N H N H IC50 = 25.6 nM 555.78 Cc1cc(NC2CCN(CCC(N)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Homo sapiens CHEMBL4028335 cell-based format
CHEMBL3901316 OBDepict HO O N N N N N N H IC50 = 26.0 nM 512.66 O=C(O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc43)c21 Homo sapiens CHEMBL3888299 cell-based format
CHEMBL454896 OBDepict HN N S N S N IC50 = 27.0 nM 434.72 C1=C(CS/C(=NC2CCCCCCC2)NC2CCCCCCC2)N2CCN=C2S1 Homo sapiens CHEMBL958139 cell-based format
CHEMBL4206706 OBDepict CH 3 N CH 3 NH N O N N N N H H IC50 = 27.0 nM 465.65 CCCN(CCC)CCCCNCc1ccc(C(=O)N(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1 Homo sapiens CHEMBL4197988 single protein format
CHEMBL541728 OBDepict N N H S N S N IC50 = 28.0 nM 392.64 C1=C(CS/C(=NC2CCCCC2)NC2CCCCCC2)N2CCN=C2S1 Homo sapiens CHEMBL958139 cell-based format
CHEMBL460298 OBDepict N H N S N S N IC50 = 28.0 nM 406.67 C1=C(CS/C(=NC2CCCCC2)NC2CCCCCCC2)N2CCN=C2S1 Homo sapiens CHEMBL958139 cell-based format
CHEMBL4747341 OBDepict CH 3 N H N N N N CH 3 N H IC50 = 30.0 nM 392.55 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN3CCC[C@@H]3C2)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL3091681 OBDepict CH 3 N H 3 C N H N H N H IC50 = 30.0 nM 392.59 CN(C)CCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 Homo sapiens CHEMBL3097228 cell-based format
CHEMBL4532299 OBDepict NH HN N HN N N N IC50 = 32.0 nM 501.72 c1ccc(CN(Cc2ccc(CN3CCCNCCNCCCNCC3)cc2)Cc2ccccn2)nc1 Homo sapiens CHEMBL4370844 cell-based format
CHEMBL4788248 OBDepict N N N N N CH 3 CH 3 N N CH 3 IC50 = 33.0 nM 391.52 Cc1nc(CN(C)C2CCCc3cccnc32)c(C#N)c(N2CCN(C)CC2)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL4070263 OBDepict N H N N H N N N H N N N H HN IC50 = 34.1 nM 470.67 c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Homo sapiens CHEMBL4028335 cell-based format
CHEMBL3948266 OBDepict O N N N O IC50 = 35.7 nM 277.37 c1cc(CN2CCOCC2)nc(CN2CCOCC2)c1 Homo sapiens CHEMBL3862909 cell-based format
CHEMBL1682998 OBDepict NH 2 N CH 3 H N N CH 3 IC50 = 35.8 nM 298.43 Cc1cccnc1CN(CCCCN)[C@@H](C)c1ccccn1 Homo sapiens CHEMBL1685196 cell-based format
CHEMBL4785495 OBDepict CH 3 N H N N N H N CH 3 N O IC50 = 36.0 nM 410.57 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(NCCCN2CCOCC2)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL3779982 OBDepict HN NH HN N N N H NH IC50 = 36.2 nM 501.72 c1ccc2c(NC3CCNCC3)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)nc2c1 Homo sapiens CHEMBL4197992 cell-based format
CHEMBL3091682 OBDepict CH 3 N H H 3 C N H N H N H IC50 = 40.0 nM 406.62 CC(C)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21 Homo sapiens CHEMBL3097228 cell-based format
CHEMBL3091691 OBDepict NH 2 N H N H N N O IC50 = 40.0 nM 445.61 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cocn1)[C@H]1CCCc2cccnc21 Homo sapiens CHEMBL3097228 cell-based format
CHEMBL1644082 OBDepict NH 2 O N H N N N H IC50 = 44.5 nM 373.46 NCc1cocc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 Homo sapiens CHEMBL1646841 cell-based format
CHEMBL4091201 OBDepict CH 3 N N H N HN N N N NH N H N H IC50 = 46.8 nM 498.72 CCc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Homo sapiens CHEMBL4028335 cell-based format
CHEMBL577268 OBDepict H 2 N N N N CH 3 N IC50 = 47.0 nM 349.48 CN(Cc1nc2ccccc2n1CCCN)C1CCCc2cccnc21 Homo sapiens CHEMBL1117018 single protein format
CHEMBL4078499 OBDepict CH 3 N N H N N H N CH 3 N N N N H N H IC50 = 47.8 nM 526.78 CCCN1CCC(Nc2cc(C)nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)n2)CC1 Homo sapiens CHEMBL4028335 cell-based format
CHEMBL452864 OBDepict N H N S N S N IC50 = 48.0 nM 378.61 C1=C(CS/C(=NC2CCCCC2)NC2CCCCC2)N2CCN=C2S1 Homo sapiens CHEMBL958139 cell-based format
CHEMBL4784173 OBDepict CH 3 N N N N CH 3 N N IC50 = 51.0 nM 406.58 Cc1nc(CN(CC2CC2)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL126657 OBDepict CH 3 O OH O Cl Ki = 53.0 nM 288.73 COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1O Homo sapiens CHEMBL2208929 cell-based format
CHEMBL4214960 OBDepict CH 3 N N N N N CH 3 N ClH IC50 = 54.0 nM 388.95 CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)ncn2)CC1.Cl Homo sapiens CHEMBL4197802 cell-based format
CHEMBL4793397 OBDepict H 3 C NH N N N N CH 3 N N CH 3 IC50 = 58.0 nM 381.53 CNc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL3091690 OBDepict H 2 N N H N H N N IC50 = 60.0 nM 455.65 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccncc1)[C@H]1CCCc2cccnc21 Homo sapiens CHEMBL3097228 cell-based format
CHEMBL3091688 OBDepict H 2 N N H N H N N IC50 = 60.0 nM 455.65 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1ccccn1)[C@H]1CCCc2cccnc21 Homo sapiens CHEMBL3097228 cell-based format
CHEMBL4075454 OBDepict H 3 C CH 3 N NH N N H N N N HN N H N H IC50 = 61.1 nM 512.75 CC(C)c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Homo sapiens CHEMBL4028335 cell-based format
CHEMBL2347627 OBDepict NH HN N H N H N H HN NH IC50 = 62.0 nM 481.65 N=C(NCCCCNCCCNC(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 Homo sapiens CHEMBL2351028 cell-based format
CHEMBL1682995 OBDepict NH 2 N H N N CH 3 CH 3 IC50 = 62.9 nM 338.5 Cc1cnc(CN(CCCCN)[C@H]2CCCc3cccnc32)c(C)c1 Homo sapiens CHEMBL1685196 cell-based format
CHEMBL4744555 OBDepict CH 3 N N NH N CH 3 N H N O IC50 = 66.0 nM 396.54 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(NCCN2CCOCC2)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL543895 OBDepict HN N HN N H N NH HN N H BrH IC50 = 67.0 nM 583.71 Br.c1cc(CN2CCCNCCNCCNCCC2)ccc1CN1CCCNCCNCCNCCC1 Homo sapiens CHEMBL884098 cell-based format
CHEMBL4752542 OBDepict CH 3 N H N N N N CH 3 N IC50 = 70.0 nM 392.55 Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCN(C3CC3)CC2)n1 Homo sapiens CHEMBL4707532 cell-based format
CHEMBL3091689 OBDepict H 2 N N H N H N N IC50 = 70.0 nM 455.65 NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cccnc1)[C@H]1CCCc2cccnc21 Homo sapiens CHEMBL3097228 cell-based format
CHEMBL4090175 OBDepict HO O N N H N N H N CH 3 N N N N H N H IC50 = 70.4 nM 598.84 Cc1cc(NC2CCN(CCCCCC(=O)O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Homo sapiens CHEMBL4028335 cell-based format