BDBM50030154 Arg-Pro-Lys-Pro-Gln-Gln-(2S,3S)Bfi-Phe-Gly-Leu-Met::CHEMBL2372519

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](-[#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-[#6]-[#6]-c2cc3ccccc3cc-12)-[#6](-[#7])=O

InChI Key: InChIKey=WQSGBFGBMHNIPB-OBQPEBBISA-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 = 50030154   

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 3 receptor (Rattus norvegicus)	BDBM50030154 (Arg-Pro-Lys-Pro-Gln-Gln-(2S,3S)Bfi-Phe-Gly-Leu-Met...) 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](-[#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-[#6]-[#6]-c2cc3ccccc3cc-12)-[#6](-[#7])=O Show InChI InChI=1S/C69H102N18O13S/c1-39(2)34-51(63(95)80-47(59(74)91)28-33-101-3)79-57(90)38-78-60(92)52(35-40-14-5-4-6-15-40)84-66(98)58(44-23-22-43-36-41-16-7-8-17-42(41)37-45(43)44)85-62(94)49(25-27-56(73)89)81-61(93)48(24-26-55(72)88)82-64(96)54-21-13-32-87(54)68(100)50(19-9-10-29-70)83-65(97)53-20-12-31-86(53)67(99)46(71)18-11-30-77-69(75)76/h4-8,14-17,36-37,39,44,46-54,58H,9-13,18-35,38,70-71H2,1-3H3,(H2,72,88)(H2,73,89)(H2,74,91)(H,78,92)(H,79,90)(H,80,95)(H,81,93)(H,82,96)(H,83,97)(H,84,98)(H,85,94)(H4,75,76,77)/t44?,46-,47+,48-,49-,50-,51-,52-,53-,54-,58-/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	1.60E+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
Neurokinin 2 receptor (Rattus norvegicus (Rat))	BDBM50030154 (Arg-Pro-Lys-Pro-Gln-Gln-(2S,3S)Bfi-Phe-Gly-Leu-Met...) 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](-[#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-[#6]-[#6]-c2cc3ccccc3cc-12)-[#6](-[#7])=O Show InChI InChI=1S/C69H102N18O13S/c1-39(2)34-51(63(95)80-47(59(74)91)28-33-101-3)79-57(90)38-78-60(92)52(35-40-14-5-4-6-15-40)84-66(98)58(44-23-22-43-36-41-16-7-8-17-42(41)37-45(43)44)85-62(94)49(25-27-56(73)89)81-61(93)48(24-26-55(72)88)82-64(96)54-21-13-32-87(54)68(100)50(19-9-10-29-70)83-65(97)53-20-12-31-86(53)67(99)46(71)18-11-30-77-69(75)76/h4-8,14-17,36-37,39,44,46-54,58H,9-13,18-35,38,70-71H2,1-3H3,(H2,72,88)(H2,73,89)(H2,74,91)(H,78,92)(H,79,90)(H,80,95)(H,81,93)(H,82,96)(H,83,97)(H,84,98)(H,85,94)(H4,75,76,77)/t44?,46-,47+,48-,49-,50-,51-,52-,53-,54-,58-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	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 1 receptor (Rattus norvegicus (rat))	BDBM50030154 (Arg-Pro-Lys-Pro-Gln-Gln-(2S,3S)Bfi-Phe-Gly-Leu-Met...) 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](-[#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-[#6]-[#6]-c2cc3ccccc3cc-12)-[#6](-[#7])=O Show InChI InChI=1S/C69H102N18O13S/c1-39(2)34-51(63(95)80-47(59(74)91)28-33-101-3)79-57(90)38-78-60(92)52(35-40-14-5-4-6-15-40)84-66(98)58(44-23-22-43-36-41-16-7-8-17-42(41)37-45(43)44)85-62(94)49(25-27-56(73)89)81-61(93)48(24-26-55(72)88)82-64(96)54-21-13-32-87(54)68(100)50(19-9-10-29-70)83-65(97)53-20-12-31-86(53)67(99)46(71)18-11-30-77-69(75)76/h4-8,14-17,36-37,39,44,46-54,58H,9-13,18-35,38,70-71H2,1-3H3,(H2,72,88)(H2,73,89)(H2,74,91)(H,78,92)(H,79,90)(H,80,95)(H,81,93)(H,82,96)(H,83,97)(H,84,98)(H,85,94)(H4,75,76,77)/t44?,46-,47+,48-,49-,50-,51-,52-,53-,54-,58-/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	48	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