BDBM50362415 CHEMBL1940536

SMILES: COc1ccc(cc1)C(C)(C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2o1

InChI Key: InChIKey=XBUVDZQWJBXQFR-FXVJXKIMSA-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 = 50362415   

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))	BDBM50362415 (CHEMBL1940536) Show SMILES COc1ccc(cc1)C(C)(C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C32H38N4O3S/c1-32(2,23-8-11-25(38-3)12-9-23)34-24-10-13-26(27(20-24)22-14-19-40-21-22)30(37)35-15-17-36(18-16-35)31-33-28-6-4-5-7-29(28)39-31/h4-9,11-12,14,19,21,24,26-27,34H,10,13,15-18,20H2,1-3H3/t24-,26+,27-/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	110	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)	BDBM50362415 (CHEMBL1940536) Show SMILES COc1ccc(cc1)C(C)(C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C32H38N4O3S/c1-32(2,23-8-11-25(38-3)12-9-23)34-24-10-13-26(27(20-24)22-14-19-40-21-22)30(37)35-15-17-36(18-16-35)31-33-28-6-4-5-7-29(28)39-31/h4-9,11-12,14,19,21,24,26-27,34H,10,13,15-18,20H2,1-3H3/t24-,26+,27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125]-hNPW23 from 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)	BDBM50362415 (CHEMBL1940536) Show SMILES COc1ccc(cc1)C(C)(C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C32H38N4O3S/c1-32(2,23-8-11-25(38-3)12-9-23)34-24-10-13-26(27(20-24)22-14-19-40-21-22)30(37)35-15-17-36(18-16-35)31-33-28-6-4-5-7-29(28)39-31/h4-9,11-12,14,19,21,24,26-27,34H,10,13,15-18,20H2,1-3H3/t24-,26+,27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	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
neuropeptides B/W receptor 1 (Homo sapiens (Human))	BDBM50362415 (CHEMBL1940536) Show SMILES COc1ccc(cc1)C(C)(C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C32H38N4O3S/c1-32(2,23-8-11-25(38-3)12-9-23)34-24-10-13-26(27(20-24)22-14-19-40-21-22)30(37)35-15-17-36(18-16-35)31-33-28-6-4-5-7-29(28)39-31/h4-9,11-12,14,19,21,24,26-27,34H,10,13,15-18,20H2,1-3H3/t24-,26+,27-/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	21	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