BDBM50362430 CHEMBL1940526

SMILES: COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1ccc(Cl)cn1

InChI Key: InChIKey=FQBHXDNBIARQPD-FPNNDXFKSA-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 = 50362430   

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)	BDBM50362430 (CHEMBL1940526) Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C31H37ClN4O2S/c1-38-26-7-3-23(4-8-26)31(12-2-13-31)34-25-6-9-27(28(19-25)22-11-18-39-21-22)30(37)36-16-14-35(15-17-36)29-10-5-24(32)20-33-29/h3-5,7-8,10-11,18,20-21,25,27-28,34H,2,6,9,12-17,19H2,1H3/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	3.10	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)	BDBM50362430 (CHEMBL1940526) Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C31H37ClN4O2S/c1-38-26-7-3-23(4-8-26)31(12-2-13-31)34-25-6-9-27(28(19-25)22-11-18-39-21-22)30(37)36-16-14-35(15-17-36)29-10-5-24(32)20-33-29/h3-5,7-8,10-11,18,20-21,25,27-28,34H,2,6,9,12-17,19H2,1H3/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	20	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