BDBM50238708 CHEMBL4060571

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O

InChI Key: InChIKey=FEEFNUHNOXJGEG-QVWIHFFISA-N

Data: 4 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 4 hits for monomerid = 50238708   

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-U receptor 2 (Homo sapiens (Human))	BDBM50238708 (CHEMBL4060571) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C57H85N17O10/c1-33(2)28-43(71-53(82)45(31-36-22-23-37-16-7-8-17-38(37)29-36)72-49(78)39(67-34(3)75)18-9-10-24-58)51(80)73-44(30-35-14-5-4-6-15-35)52(81)69-41(20-12-26-66-57(63)64)55(84)74-27-13-21-46(74)54(83)68-40(19-11-25-65-56(61)62)50(79)70-42(48(60)77)32-47(59)76/h4-8,14-17,22-23,29,33,39-46H,9-13,18-21,24-28,30-32,58H2,1-3H3,(H2,59,76)(H2,60,77)(H,67,75)(H,68,83)(H,69,81)(H,70,79)(H,71,82)(H,72,78)(H,73,80)(H4,61,62,65)(H4,63,64,66)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.40	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay				J Med Chem 60: 6089-6097 (2017) Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK
					More data for this Ligand-Target Pair
Neuromedin-U receptor 1 (Mus musculus)	BDBM50238708 (CHEMBL4060571) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C57H85N17O10/c1-33(2)28-43(71-53(82)45(31-36-22-23-37-16-7-8-17-38(37)29-36)72-49(78)39(67-34(3)75)18-9-10-24-58)51(80)73-44(30-35-14-5-4-6-15-35)52(81)69-41(20-12-26-66-57(63)64)55(84)74-27-13-21-46(74)54(83)68-40(19-11-25-65-56(61)62)50(79)70-42(48(60)77)32-47(59)76/h4-8,14-17,22-23,29,33,39-46H,9-13,18-21,24-28,30-32,58H2,1-3H3,(H2,59,76)(H2,60,77)(H,67,75)(H,68,83)(H,69,81)(H,70,79)(H,71,82)(H,72,78)(H,73,80)(H4,61,62,65)(H4,63,64,66)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at mouse NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay				J Med Chem 60: 6089-6097 (2017) Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK
					More data for this Ligand-Target Pair
Neuromedin-U receptor 1 (Homo sapiens (Human))	BDBM50238708 (CHEMBL4060571) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C57H85N17O10/c1-33(2)28-43(71-53(82)45(31-36-22-23-37-16-7-8-17-38(37)29-36)72-49(78)39(67-34(3)75)18-9-10-24-58)51(80)73-44(30-35-14-5-4-6-15-35)52(81)69-41(20-12-26-66-57(63)64)55(84)74-27-13-21-46(74)54(83)68-40(19-11-25-65-56(61)62)50(79)70-42(48(60)77)32-47(59)76/h4-8,14-17,22-23,29,33,39-46H,9-13,18-21,24-28,30-32,58H2,1-3H3,(H2,59,76)(H2,60,77)(H,67,75)(H,68,83)(H,69,81)(H,70,79)(H,71,82)(H,72,78)(H,73,80)(H4,61,62,65)(H4,63,64,66)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	39	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay				J Med Chem 60: 6089-6097 (2017) Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK
					More data for this Ligand-Target Pair
Neuromedin-U receptor 2 (Mus musculus)	BDBM50238708 (CHEMBL4060571) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C57H85N17O10/c1-33(2)28-43(71-53(82)45(31-36-22-23-37-16-7-8-17-38(37)29-36)72-49(78)39(67-34(3)75)18-9-10-24-58)51(80)73-44(30-35-14-5-4-6-15-35)52(81)69-41(20-12-26-66-57(63)64)55(84)74-27-13-21-46(74)54(83)68-40(19-11-25-65-56(61)62)50(79)70-42(48(60)77)32-47(59)76/h4-8,14-17,22-23,29,33,39-46H,9-13,18-21,24-28,30-32,58H2,1-3H3,(H2,59,76)(H2,60,77)(H,67,75)(H,68,83)(H,69,81)(H,70,79)(H,71,82)(H,72,78)(H,73,80)(H4,61,62,65)(H4,63,64,66)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	42	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay				J Med Chem 60: 6089-6097 (2017) Article DOI: 10.1021/acs.jmedchem.7b00330 BindingDB Entry DOI: 10.7270/Q2W37ZKK
					More data for this Ligand-Target Pair