BDBM50362412 CHEMBL1940539

SMILES: COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1

InChI Key: InChIKey=ZOPRMPCWLQFXSO-FPNNDXFKSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50362412   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
neuropeptides B/W receptor 1 (Homo sapiens (Human))	BDBM50362412 (CHEMBL1940539) Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C33H39N5O2S/c1-40-26-10-7-24(8-11-26)33(14-4-15-33)36-25-9-12-27(28(21-25)23-13-20-41-22-23)31(39)37-16-18-38(19-17-37)32-34-29-5-2-3-6-30(29)35-32/h2-3,5-8,10-11,13,20,22,25,27-28,36H,4,9,12,14-19,21H2,1H3,(H,34,35)/t25-,27+,28-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay 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...				Bioorg Med Chem Lett 22: 1014-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.126 BindingDB Entry DOI: 10.7270/Q2P84CB4
					More data for this Ligand-Target Pair
Neuropeptides B/W receptor type 1 (Mus musculus)	BDBM50362412 (CHEMBL1940539) Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C33H39N5O2S/c1-40-26-10-7-24(8-11-26)33(14-4-15-33)36-25-9-12-27(28(21-25)23-13-20-41-22-23)31(39)37-16-18-38(19-17-37)32-34-29-5-2-3-6-30(29)35-32/h2-3,5-8,10-11,13,20,22,25,27-28,36H,4,9,12,14-19,21H2,1H3,(H,34,35)/t25-,27+,28-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay				Bioorg Med Chem Lett 22: 1014-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.126 BindingDB Entry DOI: 10.7270/Q2P84CB4
					More data for this Ligand-Target Pair
Neuropeptides B/W receptor type 1 (Mus musculus)	BDBM50362412 (CHEMBL1940539) Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C33H39N5O2S/c1-40-26-10-7-24(8-11-26)33(14-4-15-33)36-25-9-12-27(28(21-25)23-13-20-41-22-23)31(39)37-16-18-38(19-17-37)32-34-29-5-2-3-6-30(29)35-32/h2-3,5-8,10-11,13,20,22,25,27-28,36H,4,9,12,14-19,21H2,1H3,(H,34,35)/t25-,27+,28-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay 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...				Bioorg Med Chem Lett 22: 1014-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.126 BindingDB Entry DOI: 10.7270/Q2P84CB4
					More data for this Ligand-Target Pair
neuropeptides B/W receptor 1 (Homo sapiens (Human))	BDBM50362412 (CHEMBL1940539) Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C33H39N5O2S/c1-40-26-10-7-24(8-11-26)33(14-4-15-33)36-25-9-12-27(28(21-25)23-13-20-41-22-23)31(39)37-16-18-38(19-17-37)32-34-29-5-2-3-6-30(29)35-32/h2-3,5-8,10-11,13,20,22,25,27-28,36H,4,9,12,14-19,21H2,1H3,(H,34,35)/t25-,27+,28-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125]-hNPW23 from human NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay				Bioorg Med Chem Lett 22: 1014-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.126 BindingDB Entry DOI: 10.7270/Q2P84CB4
					More data for this Ligand-Target Pair