BDBM50362440 CHEMBL1940364

SMILES: COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nccs1

InChI Key: InChIKey=JANHUOBCFXTIKL-FHTJMNSISA-N

Data: 2 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 2 hits for monomerid = 50362440   

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 type 1 (Mus musculus)	BDBM50362440 (CHEMBL1940364) Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nccs1 |r| Show InChI InChI=1S/C27H34N4O2S2/c1-19(20-3-6-23(33-2)7-4-20)29-22-5-8-24(25(17-22)21-9-15-34-18-21)26(32)30-11-13-31(14-12-30)27-28-10-16-35-27/h3-4,6-7,9-10,15-16,18-19,22,24-25,29H,5,8,11-14,17H2,1-2H3/t19-,22-,24+,25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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)	BDBM50362440 (CHEMBL1940364) Show SMILES COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nccs1 |r| Show InChI InChI=1S/C27H34N4O2S2/c1-19(20-3-6-23(33-2)7-4-20)29-22-5-8-24(25(17-22)21-9-15-34-18-21)26(32)30-11-13-31(14-12-30)27-28-10-16-35-27/h3-4,6-7,9-10,15-16,18-19,22,24-25,29H,5,8,11-14,17H2,1-2H3/t19-,22-,24+,25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	207	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