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P28336 | NMBR_HUMAN | Neuromedin-B receptor (NMBR)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL405908 OBDepict CH 3 O N N H O N H H 3 C N H O N H + N O _ O IC50 = 0.66 nM 584.68 COc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)nc1 Homo sapiens CHEMBL649929 tissue-based format
CHEMBL86828 OBDepict O N H N H H 3 C N H O H 3 C CH 3 H 3 C CH 3 N H N Ki = 6.3 nM 593.82 CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(c2ccccn2)CCCCC1 Homo sapiens CHEMBL872663 cell-based format
CHEMBL329561 OBDepict O N H N H H 3 C N H O H 3 C CH 3 H 3 C CH 3 N H Ki = 7.8 nM 592.83 CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(c2ccccc2)CCCCC1 Homo sapiens CHEMBL872663 cell-based format
CHEMBL1907865 OBDepict O N H N H CH 3 N H O CH 3 H 3 C CH 3 H 3 C N H Ki = 14.0 nM 550.75 CC(C)c1cccc(C(C)C)c1NC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCCc2ccccc21 Homo sapiens CHEMBL872663 cell-based format
CHEMBL315859 OBDepict O N H N H CH 3 N H O CH 3 H 3 C CH 3 H 3 C N H Ki = 72.0 nM 550.75 CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCCc2ccccc21 Homo sapiens CHEMBL872663 cell-based format
CHEMBL1907682 OBDepict O N H N H H 3 C HN O H 3 C CH 3 H 3 C CH 3 N H Ki = 76.0 nM 578.8 CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1c1ccccc1 Homo sapiens CHEMBL872663 cell-based format
CHEMBL563374 OBDepict CH 3 N H N H O F F F IC50 = 96.0 nM 426.48 Cc1ccc2c(c1)NC(c1ccccc1C(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 Homo sapiens CHEMBL1057866 cell-based format
CHEMBL315660 OBDepict O NH NH N H O CH 3 CH 3 CH 3 H 3 C N H Ki = 120.0 nM 502.7 CC(C)c1cccc(C(C)C)c1NC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1 Homo sapiens CHEMBL872663 cell-based format
CHEMBL89153 OBDepict O HN HN CH 3 N H O CH 3 CH 3 CH 3 H 3 C N H Ki = 125.0 nM 516.73 CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1 Homo sapiens CHEMBL872663 cell-based format
CHEMBL559860 OBDepict H 3 C N HN O F Cl H 3 C CH 3 H 3 C IC50 = 150.0 nM 440.99 CCCCN1c2cc(C)ccc2NC2=C(C(=O)CC(C)(C)C2)C1c1c(F)cccc1Cl Homo sapiens CHEMBL1057866 cell-based format
CHEMBL563564 OBDepict CH 3 N NH H 3 C O F Cl H 3 C CH 3 IC50 = 170.0 nM 398.91 Cc1ccc2c(c1)N(C)C(c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 Homo sapiens CHEMBL1057866 cell-based format
CHEMBL538178 OBDepict CH 3 N NH O F Cl CH 3 H 3 C CH 3 IC50 = 180.0 nM 412.94 CCN1c2cc(C)ccc2NC2=C(C(=O)CC(C)(C)C2)C1c1c(F)cccc1Cl Homo sapiens CHEMBL1057866 cell-based format
CHEMBL554477 OBDepict H 3 C S N H NH O CH 3 H 3 C CH 3 IC50 = 200.0 nM 378.54 CSc1ccccc1C1Nc2cc(C)ccc2NC2=C1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL1057866 cell-based format
CHEMBL562834 OBDepict CH 3 N H N H O Cl IC50 = 240.0 nM 392.93 Cc1ccc2c(c1)NC(c1ccccc1Cl)C1=C(CC3(CCCC3)CC1=O)N2 Homo sapiens CHEMBL1057866 cell-based format
CHEMBL560655 OBDepict CH 3 S N H N H O CH 3 IC50 = 250.0 nM 404.58 CSc1ccccc1C1Nc2cc(C)ccc2NC2=C1C(=O)CC1(CCCC1)C2 Homo sapiens CHEMBL1057866 cell-based format
CHEMBL563531 OBDepict CH 3 N H NH O H 3 C CH 3 F F F IC50 = 250.0 nM 400.44 Cc1ccc2c(c1)NC(c1ccccc1C(F)(F)F)C1=C(CC(C)(C)CC1=O)N2 Homo sapiens CHEMBL1057866 cell-based format
CHEMBL88174 OBDepict O HN N H N O N CH 3 H CH 3 CH 3 CH 3 H 3 C Ki = 260.0 nM 516.73 CC(C)c1cccc(C(C)C)c1N(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1 Homo sapiens CHEMBL872663 cell-based format
CHEMBL562376 OBDepict CH 3 N H NH O F Cl IC50 = 280.0 nM 410.92 Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC3(CCCC3)CC1=O)N2 Homo sapiens CHEMBL1057866 cell-based format
CHEMBL564151 OBDepict H 3 C N H HN O Cl CH 3 H 3 C IC50 = 280.0 nM 366.89 Cc1ccc2c(c1)NC(c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 Homo sapiens CHEMBL1057866 cell-based format
CHEMBL552189 OBDepict CH 3 N H NH O F Cl H 3 C CH 3 IC50 = 300.0 nM 384.88 Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 Homo sapiens CHEMBL1057866 cell-based format
CHEMBL89795 OBDepict O N H N H CH 3 N H O CH 3 H 3 C CH 3 H 3 C N H Ki = 310.0 nM 550.75 CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCc2ccccc2C1 Homo sapiens CHEMBL872663 cell-based format
CHEMBL87090 OBDepict O N H N H H 3 C N H O H 3 C CH 3 H 3 C CH 3 N H Ki = 310.0 nM 502.7 CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1 Homo sapiens CHEMBL872663 cell-based format
CHEMBL86828 OBDepict O N H N H H 3 C N H O H 3 C CH 3 H 3 C CH 3 N H N IC50 = 350.0 nM 593.82 CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NCC1(c2ccccn2)CCCCC1 Homo sapiens CHEMBL752221 cell-based format
CHEMBL564278 OBDepict O H 3 C CH 3 HN N H F Cl F F F IC50 = 370.0 nM 438.85 CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(F)(F)F)cc1NC2c1c(F)cccc1Cl Homo sapiens CHEMBL1057866 cell-based format
CHEMBL312851 OBDepict O HN N H NH O CH 3 H 3 C H 3 C CH 3 CH 3 N H Ki = 440.0 nM 516.73 CC(C)c1cccc(C(C)C)c1NC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)C1CCCCC1 Homo sapiens CHEMBL872663 cell-based format
CHEMBL313829 OBDepict O N H N H CH 3 N H O CH 3 CH 3 CH 3 H 3 C N H Ki = 450.0 nM 524.71 CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 Homo sapiens CHEMBL872663 cell-based format
CHEMBL550558 OBDepict CH 3 O NH N H F Cl CH 3 IC50 = 450.0 nM 370.86 Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(C)CC1=O)N2 Homo sapiens CHEMBL1057866 cell-based format
CHEMBL328230 OBDepict O HN HN N O CH 3 CH 3 CH 3 H 3 C CH 3 N H Ki = 490.0 nM 516.73 CC(C)c1cccc(C(C)C)c1NC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)CC1CCCCC1 Homo sapiens CHEMBL872663 cell-based format
CHEMBL550567 OBDepict H 3 C N H HN O F F F F IC50 = 540.0 nM 444.47 Cc1ccc2c(c1)NC(c1c(F)cccc1C(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 Homo sapiens CHEMBL1057866 cell-based format
CHEMBL561979 OBDepict H 3 C N H HN O + N CH 3 H 3 C O _ O IC50 = 550.0 nM 377.44 Cc1ccc2c(c1)NC(c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2 Homo sapiens CHEMBL1057866 cell-based format
CHEMBL103439 OBDepict O HN N H HN O CH 3 N + N H O _ O N IC50 = 620.0 nM 580.69 Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 Homo sapiens CHEMBL752221 cell-based format
CHEMBL92274 OBDepict O N H N H H 3 C N H O H 3 C CH 3 H 3 C CH 3 N O O H CH 3 H 3 C Ki = 630.0 nM 534.7 CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NC1COC(C)(C)OC1 Homo sapiens CHEMBL872663 cell-based format
CHEMBL557707 OBDepict CH 3 N H N H O S F F F IC50 = 640.0 nM 458.55 Cc1ccc2c(c1)NC(c1ccccc1SC(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 Homo sapiens CHEMBL1057866 cell-based format
CHEMBL328591 OBDepict O NH N CH 3 N H O N H H 3 C CH 3 H 3 C CH 3 Ki = 760.0 nM 516.73 CC(C)c1cccc(C(C)C)c1NC(=O)N(C)C(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1 Homo sapiens CHEMBL872663 cell-based format
CHEMBL103440 OBDepict O NH N H N H O N + N H O _ O N IC50 = 800.0 nM 566.66 O=C(Nc1ccc([N+](=O)[O-])cc1)NC1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 Homo sapiens CHEMBL752221 cell-based format
CHEMBL563752 OBDepict H 3 C N H HN O F Cl CH 3 H 3 C IC50 = 810.0 nM 398.91 Cc1ccc2c(c1)NC(c1c(F)cccc1Cl)C1=C(CC(C(C)C)CC1=O)N2 Homo sapiens CHEMBL1057866 cell-based format
CHEMBL564193 OBDepict Cl N H NH O F Cl H 3 C CH 3 IC50 = 860.0 nM 405.3 CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1NC2c1c(F)cccc1Cl Homo sapiens CHEMBL1057866 cell-based format
CHEMBL418299 OBDepict O HN O H N H O N N H H N H Ki = 980.0 nM 533.63 O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12)OCCc1c[nH]c2ccccc12 Homo sapiens CHEMBL700856 cell-based format