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O00574 | CXCR6_HUMAN | C-X-C chemokine receptor type 6 (CXCR6)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL4637126 OBDepict H 3 C O O O CH 3 CH 3 HN O H H N H N S F F F IC50 = 40.0 nM 549.62 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2nc3c(C(F)(F)F)cccc3s2)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4638895 OBDepict CH 3 O O H 3 C O HN O CH 3 H H N H S N Br IC50 = 80.0 nM 560.51 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2nc3c(Br)cccc3s2)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4632425 OBDepict CH 3 O O H 3 C O HN O CH 3 H H N H S N F IC50 = 110.0 nM 499.61 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2nc3c(F)cccc3s2)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4647701 OBDepict H 3 C O O O CH 3 H 3 C HN O H H N H N H O Cl Cl IC50 = 120.0 nM 536.46 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4646569 OBDepict H 3 C O O O CH 3 H 3 C HN O H H N H NH O Cl Cl IC50 = 130.0 nM 536.46 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2cc(Cl)ccc2Cl)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4646120 OBDepict CH 3 O O H 3 C O HN O CH 3 H H N H S N Cl IC50 = 130.0 nM 516.06 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2nc3c(Cl)cccc3s2)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4645971 OBDepict H 3 C O O O H 3 C CH 3 HN O H H N H HN O Cl IC50 = 140.0 nM 502.01 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2ccccc2Cl)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4640388 OBDepict H 3 C O O O H 3 C CH 3 HN O H H N H HN O Br IC50 = 160.0 nM 546.46 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2ccccc2Br)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4648997 OBDepict H 3 C O O O CH 3 H 3 C HN O H H N H HN O Cl Cl IC50 = 160.0 nM 536.46 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4641681 OBDepict H 3 C O O O CH 3 CH 3 HN O H H N H S N Cl IC50 = 170.0 nM 516.06 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2nc3cc(Cl)ccc3s2)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4639692 OBDepict CH 3 O O H 3 C O HN O CH 3 H H N H S N CH 3 IC50 = 250.0 nM 495.65 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2nc3c(C)cccc3s2)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4638493 OBDepict CH 3 O O H 3 C O HN O CH 3 H H N H N S Cl IC50 = 260.0 nM 516.06 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2nc3cccc(Cl)c3s2)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4640319 OBDepict H 3 C O O O CH 3 CH 3 HN O H H N H S N Cl IC50 = 270.0 nM 516.06 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2nc3ccc(Cl)cc3s2)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4642230 OBDepict CH 3 O O H 3 C O HN O CH 3 H H N H N S IC50 = 300.0 nM 481.62 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2nc3ccccc3s2)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4647206 OBDepict H 3 C O O O CH 3 H 3 C HN O H H N H NH O Cl Cl IC50 = 310.0 nM 536.46 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4649351 OBDepict H 3 C O O O CH 3 H 3 C HN O H H N H NH O Cl Cl IC50 = 350.0 nM 536.46 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4645763 OBDepict H 3 C O O O H 3 C CH 3 HN O H H N H HN O Br IC50 = 350.0 nM 546.46 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2cccc(Br)c2)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4635707 OBDepict H 3 C O O O H 3 C CH 3 HN O H H N H HN O Cl IC50 = 410.0 nM 502.01 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2cccc(Cl)c2)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4639114 OBDepict H 3 C O O O CH 3 H 3 C HN O H H N H NH O H 3 C CH 3 IC50 = 610.0 nM 495.62 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4644133 OBDepict H 3 C O O O H 3 C CH 3 HN O H H N H HN O F IC50 = 620.0 nM 485.56 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2ccccc2F)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4639996 OBDepict H 3 C O O O CH 3 H 3 C HN O H H N H NH O F F F IC50 = 640.0 nM 535.56 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2ccccc2C(F)(F)F)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4640657 OBDepict H 3 C O O O H 3 C CH 3 HN O H H N H HN O CH 3 IC50 = 790.0 nM 481.59 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2ccccc2C)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4640101 OBDepict H 3 C O O O H 3 C CH 3 HN O H H N H HN O F IC50 = 840.0 nM 485.56 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2cccc(F)c2)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4633183 OBDepict CH 3 O O H 3 C O HN O CH 3 H H N H S IC50 = 900.0 nM 480.63 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2cc3ccccc3s2)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format
CHEMBL4632989 OBDepict N HN O N H H H N H O O O CH 3 O CH 3 CH 3 IC50 = 930.0 nM 492.58 COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2ccccc2C#N)cc(OC)c1OC Homo sapiens CHEMBL4611266 cell-based format