BDBM50238696 CHEMBL4087867

SMILES: CC(C)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](CCC(N)=O)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=NMQRSXOZWSCBAZ-YTAGXALCSA-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 = 50238696   

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)	BDBM50238696 (CHEMBL4087867) Show SMILES CC(C)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](CCC(N)=O)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/C56H79N15O12/c1-32(2)27-40(68-53(81)43(29-34-13-7-4-8-14-34)70-51(79)41(64-47(75)23-24-57)30-35-17-19-36(72)20-18-35)50(78)69-42(28-33-11-5-3-6-12-33)52(80)66-38(21-22-45(58)73)55(83)71-26-10-16-44(71)54(82)65-37(15-9-25-63-56(61)62)49(77)67-39(48(60)76)31-46(59)74/h3-8,11-14,17-20,32,37-44,72H,9-10,15-16,21-31,57H2,1-2H3,(H2,58,73)(H2,59,74)(H2,60,76)(H,64,75)(H,65,82)(H,66,80)(H,67,77)(H,68,81)(H,69,78)(H,70,79)(H4,61,62,63)/t37-,38-,39-,40-,41-,42-,43-,44-/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	13	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))	BDBM50238696 (CHEMBL4087867) Show SMILES CC(C)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](CCC(N)=O)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/C56H79N15O12/c1-32(2)27-40(68-53(81)43(29-34-13-7-4-8-14-34)70-51(79)41(64-47(75)23-24-57)30-35-17-19-36(72)20-18-35)50(78)69-42(28-33-11-5-3-6-12-33)52(80)66-38(21-22-45(58)73)55(83)71-26-10-16-44(71)54(82)65-37(15-9-25-63-56(61)62)49(77)67-39(48(60)76)31-46(59)74/h3-8,11-14,17-20,32,37-44,72H,9-10,15-16,21-31,57H2,1-2H3,(H2,58,73)(H2,59,74)(H2,60,76)(H,64,75)(H,65,82)(H,66,80)(H,67,77)(H,68,81)(H,69,78)(H,70,79)(H4,61,62,63)/t37-,38-,39-,40-,41-,42-,43-,44-/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	1.90	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)	BDBM50238696 (CHEMBL4087867) Show SMILES CC(C)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](CCC(N)=O)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/C56H79N15O12/c1-32(2)27-40(68-53(81)43(29-34-13-7-4-8-14-34)70-51(79)41(64-47(75)23-24-57)30-35-17-19-36(72)20-18-35)50(78)69-42(28-33-11-5-3-6-12-33)52(80)66-38(21-22-45(58)73)55(83)71-26-10-16-44(71)54(82)65-37(15-9-25-63-56(61)62)49(77)67-39(48(60)76)31-46(59)74/h3-8,11-14,17-20,32,37-44,72H,9-10,15-16,21-31,57H2,1-2H3,(H2,58,73)(H2,59,74)(H2,60,76)(H,64,75)(H,65,82)(H,66,80)(H,67,77)(H,68,81)(H,69,78)(H,70,79)(H4,61,62,63)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.480	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))	BDBM50238696 (CHEMBL4087867) Show SMILES CC(C)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](CCC(N)=O)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/C56H79N15O12/c1-32(2)27-40(68-53(81)43(29-34-13-7-4-8-14-34)70-51(79)41(64-47(75)23-24-57)30-35-17-19-36(72)20-18-35)50(78)69-42(28-33-11-5-3-6-12-33)52(80)66-38(21-22-45(58)73)55(83)71-26-10-16-44(71)54(82)65-37(15-9-25-63-56(61)62)49(77)67-39(48(60)76)31-46(59)74/h3-8,11-14,17-20,32,37-44,72H,9-10,15-16,21-31,57H2,1-2H3,(H2,58,73)(H2,59,74)(H2,60,76)(H,64,75)(H,65,82)(H,66,80)(H,67,77)(H,68,81)(H,69,78)(H,70,79)(H4,61,62,63)/t37-,38-,39-,40-,41-,42-,43-,44-/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	0.390	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