BDBM50238698 CHEMBL4069256

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)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=MEKJTABNPYXUNE-AQJXLSMYSA-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 = 50238698   

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)	BDBM50238698 (CHEMBL4069256) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)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/C56H86N18O13/c1-32(2)27-40(71-49(82)37(18-19-46(78)79)67-51(84)41(29-34-14-16-35(75)17-15-34)66-45(77)31-73-25-22-63-23-26-73)50(83)72-42(28-33-9-4-3-5-10-33)52(85)69-38(12-7-21-65-56(61)62)54(87)74-24-8-13-43(74)53(86)68-36(11-6-20-64-55(59)60)48(81)70-39(47(58)80)30-44(57)76/h3-5,9-10,14-17,32,36-43,63,75H,6-8,11-13,18-31H2,1-2H3,(H2,57,76)(H2,58,80)(H,66,77)(H,67,84)(H,68,86)(H,69,85)(H,70,81)(H,71,82)(H,72,83)(H,78,79)(H4,59,60,64)(H4,61,62,65)/t36-,37-,38-,39-,40-,41-,42-,43-/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	>1.00E+3	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))	BDBM50238698 (CHEMBL4069256) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)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/C56H86N18O13/c1-32(2)27-40(71-49(82)37(18-19-46(78)79)67-51(84)41(29-34-14-16-35(75)17-15-34)66-45(77)31-73-25-22-63-23-26-73)50(83)72-42(28-33-9-4-3-5-10-33)52(85)69-38(12-7-21-65-56(61)62)54(87)74-24-8-13-43(74)53(86)68-36(11-6-20-64-55(59)60)48(81)70-39(47(58)80)30-44(57)76/h3-5,9-10,14-17,32,36-43,63,75H,6-8,11-13,18-31H2,1-2H3,(H2,57,76)(H2,58,80)(H,66,77)(H,67,84)(H,68,86)(H,69,85)(H,70,81)(H,71,82)(H,72,83)(H,78,79)(H4,59,60,64)(H4,61,62,65)/t36-,37-,38-,39-,40-,41-,42-,43-/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	>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 (Mus musculus)	BDBM50238698 (CHEMBL4069256) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)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/C56H86N18O13/c1-32(2)27-40(71-49(82)37(18-19-46(78)79)67-51(84)41(29-34-14-16-35(75)17-15-34)66-45(77)31-73-25-22-63-23-26-73)50(83)72-42(28-33-9-4-3-5-10-33)52(85)69-38(12-7-21-65-56(61)62)54(87)74-24-8-13-43(74)53(86)68-36(11-6-20-64-55(59)60)48(81)70-39(47(58)80)30-44(57)76/h3-5,9-10,14-17,32,36-43,63,75H,6-8,11-13,18-31H2,1-2H3,(H2,57,76)(H2,58,80)(H,66,77)(H,67,84)(H,68,86)(H,69,85)(H,70,81)(H,71,82)(H,72,83)(H,78,79)(H4,59,60,64)(H4,61,62,65)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.90	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))	BDBM50238698 (CHEMBL4069256) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)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/C56H86N18O13/c1-32(2)27-40(71-49(82)37(18-19-46(78)79)67-51(84)41(29-34-14-16-35(75)17-15-34)66-45(77)31-73-25-22-63-23-26-73)50(83)72-42(28-33-9-4-3-5-10-33)52(85)69-38(12-7-21-65-56(61)62)54(87)74-24-8-13-43(74)53(86)68-36(11-6-20-64-55(59)60)48(81)70-39(47(58)80)30-44(57)76/h3-5,9-10,14-17,32,36-43,63,75H,6-8,11-13,18-31H2,1-2H3,(H2,57,76)(H2,58,80)(H,66,77)(H,67,84)(H,68,86)(H,69,85)(H,70,81)(H,71,82)(H,72,83)(H,78,79)(H4,59,60,64)(H4,61,62,65)/t36-,37-,38-,39-,40-,41-,42-,43-/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	1.40	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