BDBM50283257 (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 ((S)-1-carbamoyl-3-methylsulfanyl-propyl)-amide::CHEMBL306072

SMILES: CSCC[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=FOTNQQWAHYIBKE-CVUOCSEZSA-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 = 50283257   

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 (GUINEA PIG)	BDBM50283257 ((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4...) Show SMILES CSCC[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/C43H62N10O10S/c1-25(2)21-32(42(62)50-29(38(46)58)19-20-64-4)49-37(57)24-47-39(59)33(22-27-11-7-5-8-12-27)52-43(63)34(23-28-13-9-6-10-14-28)53-41(61)31(16-18-36(45)56)51-40(60)30(48-26(3)54)15-17-35(44)55/h5-14,25,29-34H,15-24H2,1-4H3,(H2,44,55)(H2,45,56)(H2,46,58)(H,47,59)(H,48,54)(H,49,57)(H,50,62)(H,51,60)(H,52,63)(H,53,61)/t29-,30-,31-,32-,33-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	30	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
TACR3 (GUINEA PIG)	BDBM50283257 ((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4...) Show SMILES CSCC[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/C43H62N10O10S/c1-25(2)21-32(42(62)50-29(38(46)58)19-20-64-4)49-37(57)24-47-39(59)33(22-27-11-7-5-8-12-27)52-43(63)34(23-28-13-9-6-10-14-28)53-41(61)31(16-18-36(45)56)51-40(60)30(48-26(3)54)15-17-35(44)55/h5-14,25,29-34H,15-24H2,1-4H3,(H2,44,55)(H2,45,56)(H2,46,58)(H,47,59)(H,48,54)(H,49,57)(H,50,62)(H,51,60)(H,52,63)(H,53,61)/t29-,30-,31-,32-,33-,34-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	276	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)	BDBM50283257 ((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4...) Show SMILES CSCC[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/C43H62N10O10S/c1-25(2)21-32(42(62)50-29(38(46)58)19-20-64-4)49-37(57)24-47-39(59)33(22-27-11-7-5-8-12-27)52-43(63)34(23-28-13-9-6-10-14-28)53-41(61)31(16-18-36(45)56)51-40(60)30(48-26(3)54)15-17-35(44)55/h5-14,25,29-34H,15-24H2,1-4H3,(H2,44,55)(H2,45,56)(H2,46,58)(H,47,59)(H,48,54)(H,49,57)(H,50,62)(H,51,60)(H,52,63)(H,53,61)/t29-,30-,31-,32-,33-,34-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.62E+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