BDBM50030164 Arg-Pro-Lys-Pro-Gln-Gln-Phe-Flg-Pro-Leu-Met::CHEMBL2372516

SMILES: [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1-c2ccccc2-c2ccccc-12)-[#6](-[#7])=O

InChI Key: InChIKey=GRBXFGIHXZSNPP-CRAPKXISSA-N

Data: 3 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 3 hits for monomerid = 50030164   

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
Neuromedin-K receptor (Rattus norvegicus)	BDBM50030164 (Arg-Pro-Lys-Pro-Gln-Gln-Phe-Flg-Pro-Leu-Met | CHEM...) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1-c2ccccc2-c2ccccc-12)-[#6](-[#7])=O Show InChI InChI=1S/C72H104N18O13S/c1-41(2)39-52(64(96)81-48(61(77)93)32-38-104-3)86-68(100)56-27-16-37-90(56)71(103)60(59-45-21-9-7-19-43(45)44-20-8-10-22-46(44)59)87-65(97)53(40-42-17-5-4-6-18-42)85-63(95)49(28-30-57(75)91)82-62(94)50(29-31-58(76)92)83-66(98)55-26-15-36-89(55)70(102)51(24-11-12-33-73)84-67(99)54-25-14-35-88(54)69(101)47(74)23-13-34-80-72(78)79/h4-10,17-22,41,47-56,59-60H,11-16,23-40,73-74H2,1-3H3,(H2,75,91)(H2,76,92)(H2,77,93)(H,81,96)(H,82,94)(H,83,98)(H,84,99)(H,85,95)(H,86,100)(H,87,97)(H4,78,79,80)/t47-,48+,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ P. et M. Curie Curated by ChEMBL					Assay Description Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes				J Med Chem 37: 1586-601 (1994) BindingDB Entry DOI: 10.7270/Q2571CN1
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50030164 (Arg-Pro-Lys-Pro-Gln-Gln-Phe-Flg-Pro-Leu-Met | CHEM...) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1-c2ccccc2-c2ccccc-12)-[#6](-[#7])=O Show InChI InChI=1S/C72H104N18O13S/c1-41(2)39-52(64(96)81-48(61(77)93)32-38-104-3)86-68(100)56-27-16-37-90(56)71(103)60(59-45-21-9-7-19-43(45)44-20-8-10-22-46(44)59)87-65(97)53(40-42-17-5-4-6-18-42)85-63(95)49(28-30-57(75)91)82-62(94)50(29-31-58(76)92)83-66(98)55-26-15-36-89(55)70(102)51(24-11-12-33-73)84-67(99)54-25-14-35-88(54)69(101)47(74)23-13-34-80-72(78)79/h4-10,17-22,41,47-56,59-60H,11-16,23-40,73-74H2,1-3H3,(H2,75,91)(H2,76,92)(H2,77,93)(H,81,96)(H,82,94)(H,83,98)(H,84,99)(H,85,95)(H,86,100)(H,87,97)(H4,78,79,80)/t47-,48+,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ P. et M. Curie Curated by ChEMBL					Assay Description Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes				J Med Chem 37: 1586-601 (1994) BindingDB Entry DOI: 10.7270/Q2571CN1
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50030164 (Arg-Pro-Lys-Pro-Gln-Gln-Phe-Flg-Pro-Leu-Met | CHEM...) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1-c2ccccc2-c2ccccc-12)-[#6](-[#7])=O Show InChI InChI=1S/C72H104N18O13S/c1-41(2)39-52(64(96)81-48(61(77)93)32-38-104-3)86-68(100)56-27-16-37-90(56)71(103)60(59-45-21-9-7-19-43(45)44-20-8-10-22-46(44)59)87-65(97)53(40-42-17-5-4-6-18-42)85-63(95)49(28-30-57(75)91)82-62(94)50(29-31-58(76)92)83-66(98)55-26-15-36-89(55)70(102)51(24-11-12-33-73)84-67(99)54-25-14-35-88(54)69(101)47(74)23-13-34-80-72(78)79/h4-10,17-22,41,47-56,59-60H,11-16,23-40,73-74H2,1-3H3,(H2,75,91)(H2,76,92)(H2,77,93)(H,81,96)(H,82,94)(H,83,98)(H,84,99)(H,85,95)(H,86,100)(H,87,97)(H4,78,79,80)/t47-,48+,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ P. et M. Curie Curated by ChEMBL					Assay Description Concentration required to inhibit the specific binding of [125I]BH-SP to Neurokinin-1 (NK-1) receptor in rat brain synaptosomes				J Med Chem 37: 1586-601 (1994) BindingDB Entry DOI: 10.7270/Q2571CN1
					More data for this Ligand-Target Pair