BDBM50238694 CHEMBL4098010

SMILES: CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)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=YTOWLROLAIKBEN-XDJIWRSTSA-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 = 50238694   

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 (Mus musculus)	BDBM50238694 (CHEMBL4098010) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)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/C56H81N17O11/c1-32(2)46(72-51(81)42(29-34-14-7-4-8-15-34)70-49(79)40(66-45(76)23-24-57)30-35-19-21-36(74)22-20-35)53(83)71-41(28-33-12-5-3-6-13-33)50(80)68-38(17-10-26-65-56(62)63)54(84)73-27-11-18-43(73)52(82)67-37(16-9-25-64-55(60)61)48(78)69-39(47(59)77)31-44(58)75/h3-8,12-15,19-22,32,37-43,46,74H,9-11,16-18,23-31,57H2,1-2H3,(H2,58,75)(H2,59,77)(H,66,76)(H,67,82)(H,68,80)(H,69,78)(H,70,79)(H,71,83)(H,72,81)(H4,60,61,64)(H4,62,63,65)/t37-,38-,39-,40-,41-,42-,43-,46-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.570	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))	BDBM50238694 (CHEMBL4098010) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)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/C56H81N17O11/c1-32(2)46(72-51(81)42(29-34-14-7-4-8-15-34)70-49(79)40(66-45(76)23-24-57)30-35-19-21-36(74)22-20-35)53(83)71-41(28-33-12-5-3-6-13-33)50(80)68-38(17-10-26-65-56(62)63)54(84)73-27-11-18-43(73)52(82)67-37(16-9-25-64-55(60)61)48(78)69-39(47(59)77)31-44(58)75/h3-8,12-15,19-22,32,37-43,46,74H,9-11,16-18,23-31,57H2,1-2H3,(H2,58,75)(H2,59,77)(H,66,76)(H,67,82)(H,68,80)(H,69,78)(H,70,79)(H,71,83)(H,72,81)(H4,60,61,64)(H4,62,63,65)/t37-,38-,39-,40-,41-,42-,43-,46-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.310	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)	BDBM50238694 (CHEMBL4098010) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)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/C56H81N17O11/c1-32(2)46(72-51(81)42(29-34-14-7-4-8-15-34)70-49(79)40(66-45(76)23-24-57)30-35-19-21-36(74)22-20-35)53(83)71-41(28-33-12-5-3-6-13-33)50(80)68-38(17-10-26-65-56(62)63)54(84)73-27-11-18-43(73)52(82)67-37(16-9-25-64-55(60)61)48(78)69-39(47(59)77)31-44(58)75/h3-8,12-15,19-22,32,37-43,46,74H,9-11,16-18,23-31,57H2,1-2H3,(H2,58,75)(H2,59,77)(H,66,76)(H,67,82)(H,68,80)(H,69,78)(H,70,79)(H,71,83)(H,72,81)(H4,60,61,64)(H4,62,63,65)/t37-,38-,39-,40-,41-,42-,43-,46-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0880	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 2 (Homo sapiens (Human))	BDBM50238694 (CHEMBL4098010) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)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/C56H81N17O11/c1-32(2)46(72-51(81)42(29-34-14-7-4-8-15-34)70-49(79)40(66-45(76)23-24-57)30-35-19-21-36(74)22-20-35)53(83)71-41(28-33-12-5-3-6-13-33)50(80)68-38(17-10-26-65-56(62)63)54(84)73-27-11-18-43(73)52(82)67-37(16-9-25-64-55(60)61)48(78)69-39(47(59)77)31-44(58)75/h3-8,12-15,19-22,32,37-43,46,74H,9-11,16-18,23-31,57H2,1-2H3,(H2,58,75)(H2,59,77)(H,66,76)(H,67,82)(H,68,80)(H,69,78)(H,70,79)(H,71,83)(H,72,81)(H4,60,61,64)(H4,62,63,65)/t37-,38-,39-,40-,41-,42-,43-,46-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.150	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