BDBM50238688 CHEMBL4082455

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)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=OAGQDFPQJPRUFY-BXXNOCLASA-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 = 50238688   

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 1 (Homo sapiens (Human))	BDBM50238688 (CHEMBL4082455) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)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/C53H83N17O11/c1-30(2)26-39(68-46(76)35(14-7-8-22-54)64-48(78)40(63-31(3)71)28-33-18-20-34(72)21-19-33)47(77)69-41(27-32-12-5-4-6-13-32)49(79)66-37(16-10-24-62-53(59)60)51(81)70-25-11-17-42(70)50(80)65-36(15-9-23-61-52(57)58)45(75)67-38(44(56)74)29-43(55)73/h4-6,12-13,18-21,30,35-42,72H,7-11,14-17,22-29,54H2,1-3H3,(H2,55,73)(H2,56,74)(H,63,71)(H,64,78)(H,65,80)(H,66,79)(H,67,75)(H,68,76)(H,69,77)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	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 (Homo sapiens (Human))	BDBM50238688 (CHEMBL4082455) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)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/C53H83N17O11/c1-30(2)26-39(68-46(76)35(14-7-8-22-54)64-48(78)40(63-31(3)71)28-33-18-20-34(72)21-19-33)47(77)69-41(27-32-12-5-4-6-13-32)49(79)66-37(16-10-24-62-53(59)60)51(81)70-25-11-17-42(70)50(80)65-36(15-9-23-61-52(57)58)45(75)67-38(44(56)74)29-43(55)73/h4-6,12-13,18-21,30,35-42,72H,7-11,14-17,22-29,54H2,1-3H3,(H2,55,73)(H2,56,74)(H,63,71)(H,64,78)(H,65,80)(H,66,79)(H,67,75)(H,68,76)(H,69,77)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	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 2 (Mus musculus)	BDBM50238688 (CHEMBL4082455) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)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/C53H83N17O11/c1-30(2)26-39(68-46(76)35(14-7-8-22-54)64-48(78)40(63-31(3)71)28-33-18-20-34(72)21-19-33)47(77)69-41(27-32-12-5-4-6-13-32)49(79)66-37(16-10-24-62-53(59)60)51(81)70-25-11-17-42(70)50(80)65-36(15-9-23-61-52(57)58)45(75)67-38(44(56)74)29-43(55)73/h4-6,12-13,18-21,30,35-42,72H,7-11,14-17,22-29,54H2,1-3H3,(H2,55,73)(H2,56,74)(H,63,71)(H,64,78)(H,65,80)(H,66,79)(H,67,75)(H,68,76)(H,69,77)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41-,42-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	270	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
Neuromedin-U receptor 1 (Mus musculus)	BDBM50238688 (CHEMBL4082455) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)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/C53H83N17O11/c1-30(2)26-39(68-46(76)35(14-7-8-22-54)64-48(78)40(63-31(3)71)28-33-18-20-34(72)21-19-33)47(77)69-41(27-32-12-5-4-6-13-32)49(79)66-37(16-10-24-62-53(59)60)51(81)70-25-11-17-42(70)50(80)65-36(15-9-23-61-52(57)58)45(75)67-38(44(56)74)29-43(55)73/h4-6,12-13,18-21,30,35-42,72H,7-11,14-17,22-29,54H2,1-3H3,(H2,55,73)(H2,56,74)(H,63,71)(H,64,78)(H,65,80)(H,66,79)(H,67,75)(H,68,76)(H,69,77)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41-,42-/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	83	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