BDBM50291682 CHEMBL4171697

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

InChI Key: InChIKey=JBNIFFQNMOCOGL-FXRUNAACSA-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 = 50291682   

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))	BDBM50291682 (CHEMBL4171697) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N(CC(=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)Cc1ccccc1 |r| Show InChI InChI=1S/C56H80N16O11/c1-33(2)27-44(70-51(80)43(28-35-13-6-4-7-14-35)69-50(79)42(65-34(3)73)29-36-20-22-38(74)23-21-36)53(82)71(31-37-15-8-5-9-16-37)32-47(76)66-40(18-11-25-64-56(61)62)54(83)72-26-12-19-45(72)52(81)67-39(17-10-24-63-55(59)60)49(78)68-41(48(58)77)30-46(57)75/h4-9,13-16,20-23,33,39-45,74H,10-12,17-19,24-32H2,1-3H3,(H2,57,75)(H2,58,77)(H,65,73)(H,66,76)(H,67,81)(H,68,78)(H,69,79)(H,70,80)(H4,59,60,63)(H4,61,62,64)/t39-,40-,41-,42-,43-,44-,45-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.28E+3	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))	BDBM50291682 (CHEMBL4171697) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N(CC(=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)Cc1ccccc1 |r| Show InChI InChI=1S/C56H80N16O11/c1-33(2)27-44(70-51(80)43(28-35-13-6-4-7-14-35)69-50(79)42(65-34(3)73)29-36-20-22-38(74)23-21-36)53(82)71(31-37-15-8-5-9-16-37)32-47(76)66-40(18-11-25-64-56(61)62)54(83)72-26-12-19-45(72)52(81)67-39(17-10-24-63-55(59)60)49(78)68-41(48(58)77)30-46(57)75/h4-9,13-16,20-23,33,39-45,74H,10-12,17-19,24-32H2,1-3H3,(H2,57,75)(H2,58,77)(H,65,73)(H,66,76)(H,67,81)(H,68,78)(H,69,79)(H,70,80)(H4,59,60,63)(H4,61,62,64)/t39-,40-,41-,42-,43-,44-,45-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	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))	BDBM50291682 (CHEMBL4171697) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N(CC(=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)Cc1ccccc1 |r| Show InChI InChI=1S/C56H80N16O11/c1-33(2)27-44(70-51(80)43(28-35-13-6-4-7-14-35)69-50(79)42(65-34(3)73)29-36-20-22-38(74)23-21-36)53(82)71(31-37-15-8-5-9-16-37)32-47(76)66-40(18-11-25-64-56(61)62)54(83)72-26-12-19-45(72)52(81)67-39(17-10-24-63-55(59)60)49(78)68-41(48(58)77)30-46(57)75/h4-9,13-16,20-23,33,39-45,74H,10-12,17-19,24-32H2,1-3H3,(H2,57,75)(H2,58,77)(H,65,73)(H,66,76)(H,67,81)(H,68,78)(H,69,79)(H,70,80)(H4,59,60,63)(H4,61,62,64)/t39-,40-,41-,42-,43-,44-,45-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+3	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))	BDBM50291682 (CHEMBL4171697) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N(CC(=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)Cc1ccccc1 |r| Show InChI InChI=1S/C56H80N16O11/c1-33(2)27-44(70-51(80)43(28-35-13-6-4-7-14-35)69-50(79)42(65-34(3)73)29-36-20-22-38(74)23-21-36)53(82)71(31-37-15-8-5-9-16-37)32-47(76)66-40(18-11-25-64-56(61)62)54(83)72-26-12-19-45(72)52(81)67-39(17-10-24-63-55(59)60)49(78)68-41(48(58)77)30-46(57)75/h4-9,13-16,20-23,33,39-45,74H,10-12,17-19,24-32H2,1-3H3,(H2,57,75)(H2,58,77)(H,65,73)(H,66,76)(H,67,81)(H,68,78)(H,69,79)(H,70,80)(H4,59,60,63)(H4,61,62,64)/t39-,40-,41-,42-,43-,44-,45-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	172	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