BDBM50432261 UPEROLEIN

SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O

InChI Key: InChIKey=NYXNXUIHCVDPPH-MFFBADCGSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50432261   

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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50432261 (UPEROLEIN) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O |r| Show InChI InChI=1S/C56H79N13O15S/c1-30(2)24-37(51(79)63-35(47(58)75)20-23-85-4)62-46(74)28-59-49(77)38(26-33-14-16-34(71)17-15-33)65-52(80)39(25-32-10-6-5-7-11-32)64-48(76)31(3)60-50(78)40(27-44(57)72)66-53(81)42-12-9-22-69(42)56(84)41(29-70)67-54(82)43-13-8-21-68(43)55(83)36-18-19-45(73)61-36/h5-7,10-11,14-17,30-31,35-43,70-71H,8-9,12-13,18-29H2,1-4H3,(H2,57,72)(H2,58,75)(H,59,77)(H,60,78)(H,61,73)(H,62,74)(H,63,79)(H,64,76)(H,65,80)(H,66,81)(H,67,82)/t31-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis				Bioorg Med Chem 21: 2413-7 (2013) Article DOI: 10.1016/j.bmc.2013.01.036 BindingDB Entry DOI: 10.7270/Q20K29X2
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50432261 (UPEROLEIN) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O |r| Show InChI InChI=1S/C56H79N13O15S/c1-30(2)24-37(51(79)63-35(47(58)75)20-23-85-4)62-46(74)28-59-49(77)38(26-33-14-16-34(71)17-15-33)65-52(80)39(25-32-10-6-5-7-11-32)64-48(76)31(3)60-50(78)40(27-44(57)72)66-53(81)42-12-9-22-69(42)56(84)41(29-70)67-54(82)43-13-8-21-68(43)55(83)36-18-19-45(73)61-36/h5-7,10-11,14-17,30-31,35-43,70-71H,8-9,12-13,18-29H2,1-4H3,(H2,57,72)(H2,58,75)(H,59,77)(H,60,78)(H,61,73)(H,62,74)(H,63,79)(H,64,76)(H,65,80)(H,66,81)(H,67,82)/t31-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.120	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM				Bioorg Med Chem 21: 2413-7 (2013) Article DOI: 10.1016/j.bmc.2013.01.036 BindingDB Entry DOI: 10.7270/Q20K29X2
					More data for this Ligand-Target Pair