BDBM50238697 CHEMBL4090300

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(C)=O)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=OKRPACVWROOJJX-AIZAZPTRSA-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 = 50238697   

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)	BDBM50238697 (CHEMBL4090300) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(C)=O)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/C66H94N18O12/c1-38(2)32-50(80-62(94)53(36-42-22-25-43-16-7-8-17-44(43)33-42)83-61(93)52(35-41-23-26-45(86)27-24-41)81-57(89)46(76-39(3)85)18-9-10-28-67)59(91)82-51(34-40-14-5-4-6-15-40)60(92)78-48(20-12-30-75-66(72)73)64(96)84-31-13-21-54(84)63(95)77-47(19-11-29-74-65(70)71)58(90)79-49(56(69)88)37-55(68)87/h4-8,14-17,22-27,33,38,46-54,86H,9-13,18-21,28-32,34-37,67H2,1-3H3,(H2,68,87)(H2,69,88)(H,76,85)(H,77,95)(H,78,92)(H,79,90)(H,80,94)(H,81,89)(H,82,91)(H,83,93)(H4,70,71,74)(H4,72,73,75)/t46-,47-,48-,49-,50-,51-,52-,53-,54-/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	8	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))	BDBM50238697 (CHEMBL4090300) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(C)=O)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/C66H94N18O12/c1-38(2)32-50(80-62(94)53(36-42-22-25-43-16-7-8-17-44(43)33-42)83-61(93)52(35-41-23-26-45(86)27-24-41)81-57(89)46(76-39(3)85)18-9-10-28-67)59(91)82-51(34-40-14-5-4-6-15-40)60(92)78-48(20-12-30-75-66(72)73)64(96)84-31-13-21-54(84)63(95)77-47(19-11-29-74-65(70)71)58(90)79-49(56(69)88)37-55(68)87/h4-8,14-17,22-27,33,38,46-54,86H,9-13,18-21,28-32,34-37,67H2,1-3H3,(H2,68,87)(H2,69,88)(H,76,85)(H,77,95)(H,78,92)(H,79,90)(H,80,94)(H,81,89)(H,82,91)(H,83,93)(H4,70,71,74)(H4,72,73,75)/t46-,47-,48-,49-,50-,51-,52-,53-,54-/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	17	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 (Homo sapiens (Human))	BDBM50238697 (CHEMBL4090300) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(C)=O)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/C66H94N18O12/c1-38(2)32-50(80-62(94)53(36-42-22-25-43-16-7-8-17-44(43)33-42)83-61(93)52(35-41-23-26-45(86)27-24-41)81-57(89)46(76-39(3)85)18-9-10-28-67)59(91)82-51(34-40-14-5-4-6-15-40)60(92)78-48(20-12-30-75-66(72)73)64(96)84-31-13-21-54(84)63(95)77-47(19-11-29-74-65(70)71)58(90)79-49(56(69)88)37-55(68)87/h4-8,14-17,22-27,33,38,46-54,86H,9-13,18-21,28-32,34-37,67H2,1-3H3,(H2,68,87)(H2,69,88)(H,76,85)(H,77,95)(H,78,92)(H,79,90)(H,80,94)(H,81,89)(H,82,91)(H,83,93)(H4,70,71,74)(H4,72,73,75)/t46-,47-,48-,49-,50-,51-,52-,53-,54-/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	0.420	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
Neuromedin-U receptor 2 (Mus musculus)	BDBM50238697 (CHEMBL4090300) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(C)=O)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/C66H94N18O12/c1-38(2)32-50(80-62(94)53(36-42-22-25-43-16-7-8-17-44(43)33-42)83-61(93)52(35-41-23-26-45(86)27-24-41)81-57(89)46(76-39(3)85)18-9-10-28-67)59(91)82-51(34-40-14-5-4-6-15-40)60(92)78-48(20-12-30-75-66(72)73)64(96)84-31-13-21-54(84)63(95)77-47(19-11-29-74-65(70)71)58(90)79-49(56(69)88)37-55(68)87/h4-8,14-17,22-27,33,38,46-54,86H,9-13,18-21,28-32,34-37,67H2,1-3H3,(H2,68,87)(H2,69,88)(H,76,85)(H,77,95)(H,78,92)(H,79,90)(H,80,94)(H,81,89)(H,82,91)(H,83,93)(H4,70,71,74)(H4,72,73,75)/t46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.330	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