BDBM121040 US8722896, (+/-)-2-Methyl-3-((2- methoxy)benzylamino)-N-(9- chloro-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide::US8722896, (-)-(2R)-2-Methyl-3-((2- methoxy)benzylamino)-N-(9- chloro-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide

SMILES: COc1ccccc1CNCC(C)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1

InChI Key: InChIKey=LLALWBCUMKNDNJ-UHFFFAOYSA-N

Data: 4 KI

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 = 121040   

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
Prokineticin receptor 2 (PRK2) (Cricetulus griseus (Chinese hamster))	BDBM121040 (US8722896, (+/-)-2-Methyl-3-((2- methoxy)benzylami...) Show SMILES COc1ccccc1CNCC(C)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1 Show InChI InChI=1S/C26H35ClN2O4/c1-18(2)16-29(17-20-12-22(27)25-24(13-20)32-10-7-11-33-25)26(30)19(3)14-28-15-21-8-5-6-9-23(21)31-4/h5-6,8-9,12-13,18-19,28H,7,10-11,14-17H2,1-4H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.720	-13.0	n/a	n/a	n/a	n/a	n/a	n/a	37
The Regents of the University of California US Patent					Assay Description An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...				US Patent US8722896 (2014) BindingDB Entry DOI: 10.7270/Q29G5KGF
					More data for this Ligand-Target Pair
Prokineticin receptor 2 (PRK2) (Cricetulus griseus (Chinese hamster))	BDBM121040 (US8722896, (+/-)-2-Methyl-3-((2- methoxy)benzylami...) Show SMILES COc1ccccc1CNCC(C)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1 Show InChI InChI=1S/C26H35ClN2O4/c1-18(2)16-29(17-20-12-22(27)25-24(13-20)32-10-7-11-33-25)26(30)19(3)14-28-15-21-8-5-6-9-23(21)31-4/h5-6,8-9,12-13,18-19,28H,7,10-11,14-17H2,1-4H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.35	-12.6	n/a	n/a	n/a	n/a	n/a	n/a	37
The Regents of the University of California US Patent					Assay Description An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...				US Patent US8722896 (2014) BindingDB Entry DOI: 10.7270/Q29G5KGF
					More data for this Ligand-Target Pair
Prokineticin receptor 1 (PRK1) (Cricetulus griseus (Chinese hamster))	BDBM121040 (US8722896, (+/-)-2-Methyl-3-((2- methoxy)benzylami...) Show SMILES COc1ccccc1CNCC(C)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1 Show InChI InChI=1S/C26H35ClN2O4/c1-18(2)16-29(17-20-12-22(27)25-24(13-20)32-10-7-11-33-25)26(30)19(3)14-28-15-21-8-5-6-9-23(21)31-4/h5-6,8-9,12-13,18-19,28H,7,10-11,14-17H2,1-4H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.76	-11.4	n/a	n/a	n/a	n/a	n/a	n/a	37
The Regents of the University of California US Patent					Assay Description An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...				US Patent US8722896 (2014) BindingDB Entry DOI: 10.7270/Q29G5KGF
					More data for this Ligand-Target Pair
Prokineticin receptor 1 (PRK1) (Cricetulus griseus (Chinese hamster))	BDBM121040 (US8722896, (+/-)-2-Methyl-3-((2- methoxy)benzylami...) Show SMILES COc1ccccc1CNCC(C)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1 Show InChI InChI=1S/C26H35ClN2O4/c1-18(2)16-29(17-20-12-22(27)25-24(13-20)32-10-7-11-33-25)26(30)19(3)14-28-15-21-8-5-6-9-23(21)31-4/h5-6,8-9,12-13,18-19,28H,7,10-11,14-17H2,1-4H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	25.2	-10.8	n/a	n/a	n/a	n/a	n/a	n/a	37
The Regents of the University of California US Patent					Assay Description An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...				US Patent US8722896 (2014) BindingDB Entry DOI: 10.7270/Q29G5KGF
					More data for this Ligand-Target Pair