BDBM50291700 CHEMBL4175953

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)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=YJNBLIDDFWLIGI-YFWBWJTRSA-N

Data: 2 IC50  2 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 = 50291700   

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))	BDBM50291700 (CHEMBL4175953) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)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/C58H80N16O10/c1-33(2)27-44(72-54(82)45(30-34-11-4-3-5-12-34)71-50(78)40(59)29-35-19-22-39(75)23-20-35)52(80)73-46(31-36-18-21-37-13-6-7-14-38(37)28-36)53(81)69-42(16-9-25-67-58(64)65)56(84)74-26-10-17-47(74)55(83)68-41(15-8-24-66-57(62)63)51(79)70-43(49(61)77)32-48(60)76/h3-7,11-14,18-23,28,33,40-47,75H,8-10,15-17,24-27,29-32,59H2,1-2H3,(H2,60,76)(H2,61,77)(H,68,83)(H,69,81)(H,70,79)(H,71,78)(H,72,82)(H,73,80)(H4,62,63,66)(H4,64,65,67)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	378	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at human NMUR2 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based...				Eur J Med Chem 144: 887-897 (2018) Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP
					More data for this Ligand-Target Pair
Neuromedin-U receptor 1 (Homo sapiens (Human))	BDBM50291700 (CHEMBL4175953) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)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/C58H80N16O10/c1-33(2)27-44(72-54(82)45(30-34-11-4-3-5-12-34)71-50(78)40(59)29-35-19-22-39(75)23-20-35)52(80)73-46(31-36-18-21-37-13-6-7-14-38(37)28-36)53(81)69-42(16-9-25-67-58(64)65)56(84)74-26-10-17-47(74)55(83)68-41(15-8-24-66-57(62)63)51(79)70-43(49(61)77)32-48(60)76/h3-7,11-14,18-23,28,33,40-47,75H,8-10,15-17,24-27,29-32,59H2,1-2H3,(H2,60,76)(H2,61,77)(H,68,83)(H,69,81)(H,70,79)(H,71,78)(H,72,82)(H,73,80)(H4,62,63,66)(H4,64,65,67)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting				Eur J Med Chem 144: 887-897 (2018) Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP
					More data for this Ligand-Target Pair
Neuromedin-U receptor 2 (Homo sapiens (Human))	BDBM50291700 (CHEMBL4175953) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)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/C58H80N16O10/c1-33(2)27-44(72-54(82)45(30-34-11-4-3-5-12-34)71-50(78)40(59)29-35-19-22-39(75)23-20-35)52(80)73-46(31-36-18-21-37-13-6-7-14-38(37)28-36)53(81)69-42(16-9-25-67-58(64)65)56(84)74-26-10-17-47(74)55(83)68-41(15-8-24-66-57(62)63)51(79)70-43(49(61)77)32-48(60)76/h3-7,11-14,18-23,28,33,40-47,75H,8-10,15-17,24-27,29-32,59H2,1-2H3,(H2,60,76)(H2,61,77)(H,68,83)(H,69,81)(H,70,79)(H,71,78)(H,72,82)(H,73,80)(H4,62,63,66)(H4,64,65,67)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	424	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting				Eur J Med Chem 144: 887-897 (2018) Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP
					More data for this Ligand-Target Pair
Neuromedin-U receptor 1 (Homo sapiens (Human))	BDBM50291700 (CHEMBL4175953) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)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/C58H80N16O10/c1-33(2)27-44(72-54(82)45(30-34-11-4-3-5-12-34)71-50(78)40(59)29-35-19-22-39(75)23-20-35)52(80)73-46(31-36-18-21-37-13-6-7-14-38(37)28-36)53(81)69-42(16-9-25-67-58(64)65)56(84)74-26-10-17-47(74)55(83)68-41(15-8-24-66-57(62)63)51(79)70-43(49(61)77)32-48(60)76/h3-7,11-14,18-23,28,33,40-47,75H,8-10,15-17,24-27,29-32,59H2,1-2H3,(H2,60,76)(H2,61,77)(H,68,83)(H,69,81)(H,70,79)(H,71,78)(H,72,82)(H,73,80)(H4,62,63,66)(H4,64,65,67)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	51	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at human NMUR1 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based...				Eur J Med Chem 144: 887-897 (2018) Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP
					More data for this Ligand-Target Pair