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P48145 | NPBW1_HUMAN | Neuropeptides B/W receptor type 1 (NPBWR1)

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
CHEMBL1940537 OBDepict CH 3 O N H H H H N O S N N O IC50 = 4.2 nM 570.76 COc1ccc(C2(N[C@@H]3CC[C@H](C(=O)N4CCN(c5nc6ccccc6o5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 Homo sapiens CHEMBL1942829 cell-based format
CHEMBL1940539 OBDepict CH 3 O N H H H H N O S N N N H IC50 = 5.9 nM 569.78 COc1ccc(C2(N[C@@H]3CC[C@H](C(=O)N4CCN(c5nc6ccccc6[nH]5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 Homo sapiens CHEMBL1942829 cell-based format
CHEMBL1940543 OBDepict CH 3 O N H H H H N O S N N O CH 3 IC50 = 6.0 nM 584.79 COc1ccc(C2(N[C@@H]3CC[C@H](C(=O)N4CCN(c5nc6cc(C)ccc6o5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 Homo sapiens CHEMBL1942829 cell-based format
CHEMBL1940536 OBDepict CH 3 O N H H 3 C CH 3 H H H N O S N N O IC50 = 21.0 nM 558.75 COc1ccc(C(C)(C)N[C@@H]2CC[C@H](C(=O)N3CCN(c4nc5ccccc5o4)CC3)[C@@H](c3ccsc3)C2)cc1 Homo sapiens CHEMBL1942829 cell-based format
CHEMBL1940538 OBDepict CH 3 O N H H 3 C CH 3 H H H N O S N N N H IC50 = 35.0 nM 557.76 COc1ccc(C(C)(C)N[C@@H]2CC[C@H](C(=O)N3CCN(c4nc5ccccc5[nH]4)CC3)[C@@H](c3ccsc3)C2)cc1 Homo sapiens CHEMBL1942829 cell-based format
CHEMBL2314291 OBDepict CH 3 O O Cl O N N IC50 = 100.0 nM 406.87 CCOc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL1972527 OBDepict CH 3 O O Cl O N N IC50 = 120.0 nM 416.86 COc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc43)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314320 OBDepict CH 3 O O Cl O N N IC50 = 140.0 nM 392.84 COc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL1981304 OBDepict CH 3 O O Cl O N N N N IC50 = 220.0 nM 408.85 COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3-n3cccn3)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314323 OBDepict CH 3 O O Cl O N N CH 3 IC50 = 220.0 nM 406.87 COc1ccc(Oc2c(Cl)cnn(Cc3c(C)ccc4ccccc34)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL1987422 OBDepict CH 3 O O Cl O N N CH 3 CH 3 IC50 = 240.0 nM 370.84 COc1ccc(Oc2c(Cl)cnn(Cc3c(C)cccc3C)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314301 OBDepict CH 3 O Cl O N N IC50 = 240.0 nM 414.89 CCc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc43)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314293 OBDepict CH 3 O Cl O N N IC50 = 250.0 nM 390.87 CCc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314300 OBDepict CH 3 O O Cl O N N IC50 = 250.0 nM 430.89 CCOc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc43)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL1964671 OBDepict H 3 C N N O O Cl O CH 3 IC50 = 260.0 nM 370.84 CCc1ccccc1Cn1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O Homo sapiens CHEMBL2319036 cell-based format
CHEMBL1729021 OBDepict CH 3 O O Cl O N N H 3 C CH 3 IC50 = 270.0 nM 356.81 COc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL1969065 OBDepict CH 3 O O Cl O N N N O IC50 = 280.0 nM 461.91 COc1ccc(Oc2c(Cl)cnn(CC(=O)N(c3ccccc3)c3ccccc3)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL1965488 OBDepict CH 3 O O O CH 3 Cl O N N IC50 = 290.0 nM 422.87 COc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1OC Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314318 OBDepict CH 3 O O Cl O N N IC50 = 320.0 nM 442.9 COc1ccc(Oc2c(Cl)cnn(Cc3c4ccccc4cc4ccccc34)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL1940354 OBDepict CH 3 O N H CH 3 H H H H N O S N N Cl IC50 = 324.0 nM 539.15 COc1ccc([C@@H](C)N[C@@H]2CC[C@H](C(=O)N3CCN(c4ccc(Cl)cn4)CC3)[C@@H](c3ccsc3)C2)cc1 Homo sapiens CHEMBL1942829 cell-based format
CHEMBL2314324 OBDepict CH 3 O N N O O Cl O CH 3 IC50 = 350.0 nM 422.87 COc1ccc(Oc2c(Cl)cnn(Cc3c(OC)ccc4ccccc34)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314322 OBDepict CH 3 O O Cl O N N F IC50 = 360.0 nM 410.83 COc1ccc(Oc2c(Cl)cnn(Cc3ccc(F)c4ccccc34)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2005648 OBDepict CH 3 O F O Cl O N N IC50 = 360.0 nM 410.83 COc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1F Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314306 OBDepict CH 3 O O Cl O N N CH 3 IC50 = 370.0 nM 356.81 COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3C)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314308 OBDepict CH 3 O O Cl O N N F F F IC50 = 370.0 nM 410.78 COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3C(F)(F)F)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314326 OBDepict CH 3 O O Cl O N N H 3 C IC50 = 370.0 nM 406.87 COc1ccc(Oc2c(Cl)cnn(Cc3ccc(C)c4ccccc34)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314621 OBDepict CH 3 O O Cl O N N N O Cl IC50 = 370.0 nM 480.31 COc1ccc(Oc2c(Cl)cnn(C3=Nc4cc(Cl)ccc4Oc4ccccc43)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314311 OBDepict CH 3 O O Cl O N N CH 3 H 3 C IC50 = 410.0 nM 370.84 COc1ccc(Oc2c(Cl)cnn(Cc3cc(C)cc(C)c3)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2000954 OBDepict CH 3 S O Cl O N N IC50 = 430.0 nM 408.91 CSc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314299 OBDepict Cl N O N O O IC50 = 430.0 nM 404.85 O=c1c(Oc2ccc3c(c2)CCO3)c(Cl)cnn1Cc1cccc2ccccc12 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314288 OBDepict CH 3 O O Cl O N N O IC50 = 430.0 nM 460.92 COc1ccc(Oc2c(Cl)cnn(CC(=O)C(c3ccccc3)c3ccccc3)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314328 OBDepict CH 3 O O N N O O Cl O CH 3 IC50 = 450.0 nM 464.91 CCOC(=O)C(c1cccc2ccccc12)n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314622 OBDepict CH 3 O O Cl O N N N O IC50 = 490.0 nM 445.86 COc1ccc(Oc2c(Cl)cnn(C3=Nc4ccccc4Oc4ccccc43)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314295 OBDepict CH 3 O H 3 C O Cl O N N IC50 = 530.0 nM 420.9 CC(C)Oc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2002956 OBDepict CH 3 O O Cl O N N N N O Cl IC50 = 530.0 nM 481.3 COc1ccc(Oc2c(Cl)cnn(C3=Nc4cc(Cl)ccc4Oc4ncccc43)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314317 OBDepict CH 3 O O Cl O N N IC50 = 540.0 nM 418.88 COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3-c3ccccc3)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314620 OBDepict CH 3 O O Cl O N N O IC50 = 580.0 nM 446.89 COc1ccc(Oc2c(Cl)cnn(C(C(=O)c3ccccc3)c3ccccc3)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314316 OBDepict CH 3 O O Cl O N N Cl IC50 = 590.0 nM 377.23 COc1ccc(Oc2c(Cl)cnn(Cc3ccc(Cl)cc3)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314312 OBDepict CH 3 O O Cl O N N H 3 C H 3 C IC50 = 610.0 nM 370.84 COc1ccc(Oc2c(Cl)cnn(Cc3ccc(C)c(C)c3)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314297 OBDepict CH 3 O O Cl O N N IC50 = 610.0 nM 392.84 COc1cccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)c1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL1977515 OBDepict CH 3 O F O Cl O N N IC50 = 640.0 nM 410.83 COc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)c(F)c1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL1980609 OBDepict CH 3 O O Cl O N N CH 3 H 3 C IC50 = 640.0 nM 384.86 COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3C(C)C)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL1995776 OBDepict CH 3 O O Cl O N N O H 3 C IC50 = 670.0 nM 372.81 COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3OC)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314289 OBDepict OH O Cl O N N H 3 C IC50 = 730.0 nM 342.78 Cc1ccccc1-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314305 OBDepict CH 3 O O Cl O N N IC50 = 780.0 nM 342.78 COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL1968640 OBDepict CH 3 O O Cl O N N N O CH 3 IC50 = 780.0 nM 425.87 COc1ccc(Oc2c(Cl)cnn(CC(=O)N3c4ccccc4CC3C)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314298 OBDepict Cl N O N O O IC50 = 820.0 nM 402.84 O=c1c(Oc2ccc3occc3c2)c(Cl)cnn1Cc1cccc2ccccc12 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2001553 OBDepict Cl N O N O IC50 = 830.0 nM 402.88 O=c1c(Oc2ccc3c(c2)CCC3)c(Cl)cnn1Cc1cccc2ccccc12 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL1979763 OBDepict H 3 C O O Cl O N N IC50 = 980.0 nM 406.87 CCOc1cccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)c1 Homo sapiens CHEMBL2319036 cell-based format
CHEMBL2314310 OBDepict CH 3 O O Cl O N N F F F IC50 = 1000.0 nM 410.78 COc1ccc(Oc2c(Cl)cnn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 Homo sapiens CHEMBL2319036 cell-based format