BDBM50071749 (S)-3-(1H-Indol-3-yl)-N-[1-(4-isopropyl-phenyl)-cyclohexylmethyl]-2-methyl-2-[3-(4-nitro-phenyl)-ureido]-propionamide::CHEMBL313030

SMILES CC(C)c1ccc(cc1)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1

InChI Key InChIKey=AFDFFXDMBHJMEI-UMSFTDKQSA-N

Data  2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50071749   

TargetNeuromedin-B receptor(Homo sapiens (Human))
Cambridge University Forvie Site

Curated by ChEMBL
LigandPNGBDBM50071749((S)-3-(1H-Indol-3-yl)-N-[1-(4-isopropyl-phenyl)-cy...)
Show SMILES CC(C)c1ccc(cc1)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1
Show InChI InChI=1S/C35H41N5O4/c1-24(2)25-11-13-27(14-12-25)35(19-7-4-8-20-35)23-37-32(41)34(3,21-26-22-36-31-10-6-5-9-30(26)31)39-33(42)38-28-15-17-29(18-16-28)40(43)44/h5-6,9-18,22,24,36H,4,7-8,19-21,23H2,1-3H3,(H,37,41)(H2,38,39,42)/t34-/m0/s1
Affinity DataKi:  1.5nMAssay Description:Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Tyr] bombesin stably expressed in CHO cellsMore data for this Ligand-Target Pair
TargetGastrin-releasing peptide receptor(Homo sapiens (Human))
Cambridge University Forvie Site

Curated by ChEMBL
LigandPNGBDBM50071749((S)-3-(1H-Indol-3-yl)-N-[1-(4-isopropyl-phenyl)-cy...)
Show SMILES CC(C)c1ccc(cc1)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1
Show InChI InChI=1S/C35H41N5O4/c1-24(2)25-11-13-27(14-12-25)35(19-7-4-8-20-35)23-37-32(41)34(3,21-26-22-36-31-10-6-5-9-30(26)31)39-33(42)38-28-15-17-29(18-16-28)40(43)44/h5-6,9-18,22,24,36H,4,7-8,19-21,23H2,1-3H3,(H,37,41)(H2,38,39,42)/t34-/m0/s1
Affinity DataKi:  35nMAssay Description:In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Tyr] bombesin.More data for this Ligand-Target Pair