BDBM50030165 Arg-Pro-Lys-Pro-Gln-Gln-Tic-Phe-Gly-Leu-Met::CHEMBL2372444

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

InChI Key: InChIKey=XIUBIMRSCFRWTN-SARDKLJWSA-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 = 50030165   

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
Neurokinin 1 receptor (Rattus norvegicus (rat))	BDBM50030165 (Arg-Pro-Lys-Pro-Gln-Gln-Tic-Phe-Gly-Leu-Met | CHEM...) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1-[#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](-[#7])=O Show InChI InChI=1S/C64H98N18O13S/c1-37(2)32-46(57(89)75-42(54(69)86)26-31-96-3)74-53(85)35-73-55(87)47(33-38-14-5-4-6-15-38)79-60(92)50-34-39-16-7-8-17-40(39)36-82(50)63(95)45(23-25-52(68)84)77-56(88)43(22-24-51(67)83)76-58(90)49-21-13-30-81(49)62(94)44(19-9-10-27-65)78-59(91)48-20-12-29-80(48)61(93)41(66)18-11-28-72-64(70)71/h4-8,14-17,37,41-50H,9-13,18-36,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,89)(H,76,90)(H,77,88)(H,78,91)(H,79,92)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/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	2.40E+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]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
Neurokinin 2 receptor (Rattus norvegicus (Rat))	BDBM50030165 (Arg-Pro-Lys-Pro-Gln-Gln-Tic-Phe-Gly-Leu-Met | CHEM...) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1-[#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](-[#7])=O Show InChI InChI=1S/C64H98N18O13S/c1-37(2)32-46(57(89)75-42(54(69)86)26-31-96-3)74-53(85)35-73-55(87)47(33-38-14-5-4-6-15-38)79-60(92)50-34-39-16-7-8-17-40(39)36-82(50)63(95)45(23-25-52(68)84)77-56(88)43(22-24-51(67)83)76-58(90)49-21-13-30-81(49)62(94)44(19-9-10-27-65)78-59(91)48-20-12-29-80(48)61(93)41(66)18-11-28-72-64(70)71/h4-8,14-17,37,41-50H,9-13,18-36,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,89)(H,76,90)(H,77,88)(H,78,91)(H,79,92)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	520	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
Neurokinin 3 receptor (Rattus norvegicus)	BDBM50030165 (Arg-Pro-Lys-Pro-Gln-Gln-Tic-Phe-Gly-Leu-Met | CHEM...) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1-[#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](-[#7])=O Show InChI InChI=1S/C64H98N18O13S/c1-37(2)32-46(57(89)75-42(54(69)86)26-31-96-3)74-53(85)35-73-55(87)47(33-38-14-5-4-6-15-38)79-60(92)50-34-39-16-7-8-17-40(39)36-82(50)63(95)45(23-25-52(68)84)77-56(88)43(22-24-51(67)83)76-58(90)49-21-13-30-81(49)62(94)44(19-9-10-27-65)78-59(91)48-20-12-29-80(48)61(93)41(66)18-11-28-72-64(70)71/h4-8,14-17,37,41-50H,9-13,18-36,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,89)(H,76,90)(H,77,88)(H,78,91)(H,79,92)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/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	1.90E+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]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