BDBM50283250 (S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4-carbamoyl-butyrylamino)-4-carbamoyl-butyrylamino]-3-phenyl-propionylamino}-3-phenyl-propionylamino)-acetylamino]-4-methyl-pentanoic acid ((E)-(S)-1-carbamoyl-hex-4-enyl)-amide::CHEMBL449091

SMILES: C\C=C\CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O

InChI Key: InChIKey=BDESPKAEHLWLOL-UVFDDTEOSA-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 = 50283250   

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
TACR3 (GUINEA PIG)	BDBM50283250 ((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4...) Show SMILES C\C=C\CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O Show InChI InChI=1S/C45H64N10O10/c1-5-6-9-18-31(40(48)60)52-44(64)34(23-27(2)3)51-39(59)26-49-41(61)35(24-29-14-10-7-11-15-29)54-45(65)36(25-30-16-12-8-13-17-30)55-43(63)33(20-22-38(47)58)53-42(62)32(50-28(4)56)19-21-37(46)57/h5-8,10-17,27,31-36H,9,18-26H2,1-4H3,(H2,46,57)(H2,47,58)(H2,48,60)(H,49,61)(H,50,56)(H,51,59)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/b6-5+/t31-,32-,33-,34-,35-,36-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	882	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration producing half-maximal inhibition of specific binding of [3H]-Senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex				Bioorg Med Chem Lett 4: 2263-2266 (1994) Article DOI: 10.1016/0960-894X(94)85022-4 BindingDB Entry DOI: 10.7270/Q2959HHG
					More data for this Ligand-Target Pair
TACR2 (HAMSTER)	BDBM50283250 ((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4...) Show SMILES C\C=C\CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O Show InChI InChI=1S/C45H64N10O10/c1-5-6-9-18-31(40(48)60)52-44(64)34(23-27(2)3)51-39(59)26-49-41(61)35(24-29-14-10-7-11-15-29)54-45(65)36(25-30-16-12-8-13-17-30)55-43(63)33(20-22-38(47)58)53-42(62)32(50-28(4)56)19-21-37(46)57/h5-8,10-17,27,31-36H,9,18-26H2,1-4H3,(H2,46,57)(H2,47,58)(H2,48,60)(H,49,61)(H,50,56)(H,51,59)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/b6-5+/t31-,32-,33-,34-,35-,36-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration producing half-maximal inhibition of specific binding of. [125I]-Neurokinin A to NK-2 receptors in the hamster urinary bladder				Bioorg Med Chem Lett 4: 2263-2266 (1994) Article DOI: 10.1016/0960-894X(94)85022-4 BindingDB Entry DOI: 10.7270/Q2959HHG
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (GUINEA PIG)	BDBM50283250 ((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4...) Show SMILES C\C=C\CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O Show InChI InChI=1S/C45H64N10O10/c1-5-6-9-18-31(40(48)60)52-44(64)34(23-27(2)3)51-39(59)26-49-41(61)35(24-29-14-10-7-11-15-29)54-45(65)36(25-30-16-12-8-13-17-30)55-43(63)33(20-22-38(47)58)53-42(62)32(50-28(4)56)19-21-37(46)57/h5-8,10-17,27,31-36H,9,18-26H2,1-4H3,(H2,46,57)(H2,47,58)(H2,48,60)(H,49,61)(H,50,56)(H,51,59)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/b6-5+/t31-,32-,33-,34-,35-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration producing half-maximal inhibition of specific binding of. [125I]-Bolton-Hunter Substance P to NK-1 receptors in the guinea pig cerebral...				Bioorg Med Chem Lett 4: 2263-2266 (1994) Article DOI: 10.1016/0960-894X(94)85022-4 BindingDB Entry DOI: 10.7270/Q2959HHG
					More data for this Ligand-Target Pair