BDBM50291731 CHEMBL4168753

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=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=LAXNUUZESMQNGO-QVWIHFFISA-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 = 50291731   

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))	BDBM50291731 (CHEMBL4168753) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=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/C57H80N16O12/c1-31(2)24-44(71-51(81)43(25-33-10-5-4-6-11-33)70-50(80)42(66-32(3)74)26-34-15-18-37(75)19-16-34)55(85)73-30-36-27-38(76)20-17-35(36)28-46(73)53(83)68-40(13-8-22-65-57(62)63)54(84)72-23-9-14-45(72)52(82)67-39(12-7-21-64-56(60)61)49(79)69-41(48(59)78)29-47(58)77/h4-6,10-11,15-20,27,31,39-46,75-76H,7-9,12-14,21-26,28-30H2,1-3H3,(H2,58,77)(H2,59,78)(H,66,74)(H,67,82)(H,68,83)(H,69,79)(H,70,80)(H,71,81)(H4,60,61,64)(H4,62,63,65)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	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
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
Neuromedin-U receptor 2 (Homo sapiens (Human))	BDBM50291731 (CHEMBL4168753) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=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/C57H80N16O12/c1-31(2)24-44(71-51(81)43(25-33-10-5-4-6-11-33)70-50(80)42(66-32(3)74)26-34-15-18-37(75)19-16-34)55(85)73-30-36-27-38(76)20-17-35(36)28-46(73)53(83)68-40(13-8-22-65-57(62)63)54(84)72-23-9-14-45(72)52(82)67-39(12-7-21-64-56(60)61)49(79)69-41(48(59)78)29-47(58)77/h4-6,10-11,15-20,27,31,39-46,75-76H,7-9,12-14,21-26,28-30H2,1-3H3,(H2,58,77)(H2,59,78)(H,66,74)(H,67,82)(H,68,83)(H,69,79)(H,70,80)(H,71,81)(H4,60,61,64)(H4,62,63,65)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	193	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Inhibition of human platelet aggregation				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))	BDBM50291731 (CHEMBL4168753) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=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/C57H80N16O12/c1-31(2)24-44(71-51(81)43(25-33-10-5-4-6-11-33)70-50(80)42(66-32(3)74)26-34-15-18-37(75)19-16-34)55(85)73-30-36-27-38(76)20-17-35(36)28-46(73)53(83)68-40(13-8-22-65-57(62)63)54(84)72-23-9-14-45(72)52(82)67-39(12-7-21-64-56(60)61)49(79)69-41(48(59)78)29-47(58)77/h4-6,10-11,15-20,27,31,39-46,75-76H,7-9,12-14,21-26,28-30H2,1-3H3,(H2,58,77)(H2,59,78)(H,66,74)(H,67,82)(H,68,83)(H,69,79)(H,70,80)(H,71,81)(H4,60,61,64)(H4,62,63,65)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	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))	BDBM50291731 (CHEMBL4168753) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=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/C57H80N16O12/c1-31(2)24-44(71-51(81)43(25-33-10-5-4-6-11-33)70-50(80)42(66-32(3)74)26-34-15-18-37(75)19-16-34)55(85)73-30-36-27-38(76)20-17-35(36)28-46(73)53(83)68-40(13-8-22-65-57(62)63)54(84)72-23-9-14-45(72)52(82)67-39(12-7-21-64-56(60)61)49(79)69-41(48(59)78)29-47(58)77/h4-6,10-11,15-20,27,31,39-46,75-76H,7-9,12-14,21-26,28-30H2,1-3H3,(H2,58,77)(H2,59,78)(H,66,74)(H,67,82)(H,68,83)(H,69,79)(H,70,80)(H,71,81)(H4,60,61,64)(H4,62,63,65)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Inhibition of 10 uM ADP-induced human gel filtered platelet aggregation with 0.1 mg/mL human fibrinogen				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