BDBM50395016 CHEMBL2163452::US9708370, CP-2B(ii)

SMILES: CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=ZYIVLRIWQBPGDC-VTWNOCJXSA-N

Data: 4 IC50

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 = 50395016   

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
Ghrelin receptor (Homo sapiens (Human))	BDBM50395016 (CHEMBL2163452 | US9708370, CP-2B(ii)) Show SMILES CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C42H57N13O6/c1-24(2)22-55(54-41(60)36(17-27-20-48-33-13-7-5-11-30(27)33)52-39(58)31(44)18-28-21-46-23-49-28)42(61)53-35(16-26-19-47-32-12-6-4-10-29(26)32)40(59)50-25(3)38(57)51-34(37(45)56)14-8-9-15-43/h4-7,10-13,19-21,23-25,31,34-36,47-48H,8-9,14-18,22,43-44H2,1-3H3,(H2,45,56)(H,46,49)(H,50,59)(H,51,57)(H,52,58)(H,53,61)(H,54,60)/t25-,31+,34+,35+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin expressed in in LLC-PK1 cells incubated for 1 hr by gamma counting method				J Med Chem 55: 6502-11 (2012) Article DOI: 10.1021/jm300557t BindingDB Entry DOI: 10.7270/Q22J6D00
					More data for this Ligand-Target Pair
Platelet glycoprotein 4 (Rattus norvegicus)	BDBM50395016 (CHEMBL2163452 | US9708370, CP-2B(ii)) Show SMILES CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C42H57N13O6/c1-24(2)22-55(54-41(60)36(17-27-20-48-33-13-7-5-11-30(27)33)52-39(58)31(44)18-28-21-46-23-49-28)42(61)53-35(16-26-19-47-32-12-6-4-10-29(26)32)40(59)50-25(3)38(57)51-34(37(45)56)14-8-9-15-43/h4-7,10-13,19-21,23-25,31,34-36,47-48H,8-9,14-18,22,43-44H2,1-3H3,(H2,45,56)(H,46,49)(H,50,59)(H,51,57)(H,52,58)(H,53,61)(H,54,60)/t25-,31+,34+,35+,36-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.94E+3	n/a	n/a	n/a	n/a	7.3	n/a
VALORISATION-RECHERCHE, LIMITED PARTNERSHIP; VALORISATION HSJ, LIMITED PARTNERSHIP US Patent					Assay Description Competition experiments were performed by incubating 50 μg of LLC-PK1 membranes expressing human GHS-R1a with 15 fmol of 125I-Ghrelin and increa...				US Patent US9708370 (2017) BindingDB Entry DOI: 10.7270/Q2XP76ZK
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM50395016 (CHEMBL2163452 | US9708370, CP-2B(ii)) Show SMILES CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C42H57N13O6/c1-24(2)22-55(54-41(60)36(17-27-20-48-33-13-7-5-11-30(27)33)52-39(58)31(44)18-28-21-46-23-49-28)42(61)53-35(16-26-19-47-32-12-6-4-10-29(26)32)40(59)50-25(3)38(57)51-34(37(45)56)14-8-9-15-43/h4-7,10-13,19-21,23-25,31,34-36,47-48H,8-9,14-18,22,43-44H2,1-3H3,(H2,45,56)(H,46,49)(H,50,59)(H,51,57)(H,52,58)(H,53,61)(H,54,60)/t25-,31+,34+,35+,36-/m1/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
VALORISATION-RECHERCHE, LIMITED PARTNERSHIP; VALORISATION HSJ, LIMITED PARTNERSHIP US Patent					Assay Description GHS-R1a radioreceptor assay using LLCPK-1 membranes overexpressing GSH-R1a and radioiodinated (1-28) rat ghrelin as tracer.				US Patent US9708370 (2017) BindingDB Entry DOI: 10.7270/Q2XP76ZK
					More data for this Ligand-Target Pair
Platelet glycoprotein 4 (Rattus norvegicus)	BDBM50395016 (CHEMBL2163452 | US9708370, CP-2B(ii)) Show SMILES CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C42H57N13O6/c1-24(2)22-55(54-41(60)36(17-27-20-48-33-13-7-5-11-30(27)33)52-39(58)31(44)18-28-21-46-23-49-28)42(61)53-35(16-26-19-47-32-12-6-4-10-29(26)32)40(59)50-25(3)38(57)51-34(37(45)56)14-8-9-15-43/h4-7,10-13,19-21,23-25,31,34-36,47-48H,8-9,14-18,22,43-44H2,1-3H3,(H2,45,56)(H,46,49)(H,50,59)(H,51,57)(H,52,58)(H,53,61)(H,54,60)/t25-,31+,34+,35+,36-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of photoactivatable [125I]-Tyr-Bpa-Ala-Hexarelin from CD36 in Sprague-Dawley rat cardiac membranes incubated for 60 mins by densitometry				J Med Chem 55: 6502-11 (2012) Article DOI: 10.1021/jm300557t BindingDB Entry DOI: 10.7270/Q22J6D00
					More data for this Ligand-Target Pair