BDBM50030157 Arg-Pro-Lys-Pro-Gln-Gln-Phe-Hph-Gly-Leu-Met::CHEMBL411230

SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O

InChI Key: InChIKey=JNZJMAUXRXJFQE-TYCQRAKYSA-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 = 50030157   

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 2 receptor (Rattus norvegicus (Rat))	BDBM50030157 (Arg-Pro-Lys-Pro-Gln-Gln-Phe-Hph-Gly-Leu-Met | CHEM...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O Show InChI InChI=1S/C64H100N18O13S/c1-38(2)35-47(58(90)75-42(54(69)86)29-34-96-3)74-53(85)37-73-55(87)43(24-23-39-15-6-4-7-16-39)76-59(91)48(36-40-17-8-5-9-18-40)80-57(89)44(25-27-51(67)83)77-56(88)45(26-28-52(68)84)78-60(92)50-22-14-33-82(50)63(95)46(20-10-11-30-65)79-61(93)49-21-13-32-81(49)62(94)41(66)19-12-31-72-64(70)71/h4-9,15-18,38,41-50H,10-14,19-37,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,90)(H,76,91)(H,77,88)(H,78,92)(H,79,93)(H,80,89)(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	450	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))	BDBM50030157 (Arg-Pro-Lys-Pro-Gln-Gln-Phe-Hph-Gly-Leu-Met | CHEM...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O Show InChI InChI=1S/C64H100N18O13S/c1-38(2)35-47(58(90)75-42(54(69)86)29-34-96-3)74-53(85)37-73-55(87)43(24-23-39-15-6-4-7-16-39)76-59(91)48(36-40-17-8-5-9-18-40)80-57(89)44(25-27-51(67)83)77-56(88)45(26-28-52(68)84)78-60(92)50-22-14-33-82(50)63(95)46(20-10-11-30-65)79-61(93)49-21-13-32-81(49)62(94)41(66)19-12-31-72-64(70)71/h4-9,15-18,38,41-50H,10-14,19-37,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,90)(H,76,91)(H,77,88)(H,78,92)(H,79,93)(H,80,89)(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	62	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 3 receptor (Rattus norvegicus)	BDBM50030157 (Arg-Pro-Lys-Pro-Gln-Gln-Phe-Hph-Gly-Leu-Met | CHEM...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O Show InChI InChI=1S/C64H100N18O13S/c1-38(2)35-47(58(90)75-42(54(69)86)29-34-96-3)74-53(85)37-73-55(87)43(24-23-39-15-6-4-7-16-39)76-59(91)48(36-40-17-8-5-9-18-40)80-57(89)44(25-27-51(67)83)77-56(88)45(26-28-52(68)84)78-60(92)50-22-14-33-82(50)63(95)46(20-10-11-30-65)79-61(93)49-21-13-32-81(49)62(94)41(66)19-12-31-72-64(70)71/h4-9,15-18,38,41-50H,10-14,19-37,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,90)(H,76,91)(H,77,88)(H,78,92)(H,79,93)(H,80,89)(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