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BDBM50136518 (3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid {(R)-3-[6-(4-chloro-phenylsulfanyl)-2-(4-methoxy-phenyl)-3-oxo-2,3-dihydro-pyridazin-4-yl]-1-methyl-propyl}-amide; hydrochloride::CHEMBL137452::CHEMBL541866

SMILES: COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O

InChI Key: InChIKey=UCRUJXVEFBEWBN-UEFPSYNTSA-N

Data: 3 IC50  3 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 6 hits for monomerid = 50136518   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50136518
PNG
((3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid {(R...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C32H33ClN4O3S/c1-21(35-31(38)29-20-34-19-28(29)22-6-4-3-5-7-22)8-9-23-18-30(41-27-16-10-24(33)11-17-27)36-37(32(23)39)25-12-14-26(40-2)15-13-25/h3-7,10-18,21,28-29,34H,8-9,19-20H2,1-2H3,(H,35,38)/t21-,28-,29+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-NDP-alpha-MSH from membranes prepared from CHO cells expressing human melanocortin subtype-4-rece...


Bioorg Med Chem Lett 13: 4431-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.026
BindingDB Entry DOI: 10.7270/Q2WH2QJG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50136518
PNG
((3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid {(R...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C32H33ClN4O3S/c1-21(35-31(38)29-20-34-19-28(29)22-6-4-3-5-7-22)8-9-23-18-30(41-27-16-10-24(33)11-17-27)36-37(32(23)39)25-12-14-26(40-2)15-13-25/h3-7,10-18,21,28-29,34H,8-9,19-20H2,1-2H3,(H,35,38)/t21-,28-,29+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 400n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay


Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50136518
PNG
((3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid {(R...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C32H33ClN4O3S/c1-21(35-31(38)29-20-34-19-28(29)22-6-4-3-5-7-22)8-9-23-18-30(41-27-16-10-24(33)11-17-27)36-37(32(23)39)25-12-14-26(40-2)15-13-25/h3-7,10-18,21,28-29,34H,8-9,19-20H2,1-2H3,(H,35,38)/t21-,28-,29+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 405n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for cAMP accumulation relative to alpha-MSH at human MC4R


Bioorg Med Chem Lett 13: 4431-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.026
BindingDB Entry DOI: 10.7270/Q2WH2QJG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50136518
PNG
((3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid {(R...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C32H33ClN4O3S/c1-21(35-31(38)29-20-34-19-28(29)22-6-4-3-5-7-22)8-9-23-18-30(41-27-16-10-24(33)11-17-27)36-37(32(23)39)25-12-14-26(40-2)15-13-25/h3-7,10-18,21,28-29,34H,8-9,19-20H2,1-2H3,(H,35,38)/t21-,28-,29+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for cAMP accumulation relative to alpha-MSH at human MC4R


Bioorg Med Chem Lett 13: 4431-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.026
BindingDB Entry DOI: 10.7270/Q2WH2QJG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50136518
PNG
((3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid {(R...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C32H33ClN4O3S/c1-21(35-31(38)29-20-34-19-28(29)22-6-4-3-5-7-22)8-9-23-18-30(41-27-16-10-24(33)11-17-27)36-37(32(23)39)25-12-14-26(40-2)15-13-25/h3-7,10-18,21,28-29,34H,8-9,19-20H2,1-2H3,(H,35,38)/t21-,28-,29+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 250n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of [125I]-NDP-alpha-MSH from membranes prepared from CHO cells expressing human melanocortin subtype-4-rece...


Bioorg Med Chem Lett 13: 4431-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.026
BindingDB Entry DOI: 10.7270/Q2WH2QJG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50136518
PNG
((3R,4S)-4-Phenyl-pyrrolidine-3-carboxylic acid {(R...)
Show SMILES COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccccc2)c1=O
Show InChI InChI=1S/C32H33ClN4O3S/c1-21(35-31(38)29-20-34-19-28(29)22-6-4-3-5-7-22)8-9-23-18-30(41-27-16-10-24(33)11-17-27)36-37(32(23)39)25-12-14-26(40-2)15-13-25/h3-7,10-18,21,28-29,34H,8-9,19-20H2,1-2H3,(H,35,38)/t21-,28-,29+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration at human melanocortin 4 receptor in cAMP release assay


Bioorg Med Chem Lett 15: 4023-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.033
BindingDB Entry DOI: 10.7270/Q2639P8S
More data for this
Ligand-Target Pair