BDBM50362410 CHEMBL1940542

SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nnc(Br)s1

InChI Key InChIKey=LLRJQSKRPBWVEO-YFNKSVMNSA-N

Data  4 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50362410   

TargetNeuropeptides B/W receptor type 1(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50362410(CHEMBL1940542)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nnc(Br)s1
Show InChI InChI=1S/C28H34BrN5O2S2/c1-36-22-6-3-20(4-7-22)28(10-2-11-28)30-21-5-8-23(24(17-21)19-9-16-37-18-19)25(35)33-12-14-34(15-13-33)27-32-31-26(29)38-27/h3-4,6-7,9,16,18,21,23-24,30H,2,5,8,10-15,17H2,1H3/t21-,23+,24-/m1/s1
Affinity DataIC50: 197nMAssay Description:Antagonist activity at human NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by...More data for this Ligand-Target Pair
TargetNeuropeptides B/W receptor type 1(Mus musculus)
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50362410(CHEMBL1940542)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nnc(Br)s1
Show InChI InChI=1S/C28H34BrN5O2S2/c1-36-22-6-3-20(4-7-22)28(10-2-11-28)30-21-5-8-23(24(17-21)19-9-16-37-18-19)25(35)33-12-14-34(15-13-33)27-32-31-26(29)38-27/h3-4,6-7,9,16,18,21,23-24,30H,2,5,8,10-15,17H2,1H3/t21-,23+,24-/m1/s1
Affinity DataIC50: 2.60nMAssay Description:Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assayMore data for this Ligand-Target Pair
TargetNeuropeptides B/W receptor type 1(Mus musculus)
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50362410(CHEMBL1940542)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nnc(Br)s1
Show InChI InChI=1S/C28H34BrN5O2S2/c1-36-22-6-3-20(4-7-22)28(10-2-11-28)30-21-5-8-23(24(17-21)19-9-16-37-18-19)25(35)33-12-14-34(15-13-33)27-32-31-26(29)38-27/h3-4,6-7,9,16,18,21,23-24,30H,2,5,8,10-15,17H2,1H3/t21-,23+,24-/m1/s1
Affinity DataIC50: 12nMAssay Description:Antagonist activity at mouse NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by...More data for this Ligand-Target Pair
TargetNeuropeptides B/W receptor type 1(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50362410(CHEMBL1940542)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nnc(Br)s1
Show InChI InChI=1S/C28H34BrN5O2S2/c1-36-22-6-3-20(4-7-22)28(10-2-11-28)30-21-5-8-23(24(17-21)19-9-16-37-18-19)25(35)33-12-14-34(15-13-33)27-32-31-26(29)38-27/h3-4,6-7,9,16,18,21,23-24,30H,2,5,8,10-15,17H2,1H3/t21-,23+,24-/m1/s1
Affinity DataIC50: 18nMAssay Description:Displacement of [125]-hNPW23 from human NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assayMore data for this Ligand-Target Pair