BDBM50394987 CHEMBL2163462::US9708370, CP-AP-2

SMILES: C[C@H](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)N1CCCN1C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=VFDZTAHFSNRCFL-KFIRFVBASA-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 = 50394987   

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))	BDBM50394987 (CHEMBL2163462 | US9708370, CP-AP-2) Show SMILES C[C@H](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)N1CCCN1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C41H53N13O6/c1-24(49-39(58)34(17-25-20-46-31-11-4-2-9-28(25)31)50-38(57)30(43)19-27-22-45-23-48-27)37(56)51-35(18-26-21-47-32-12-5-3-10-29(26)32)40(59)53-15-8-16-54(53)41(60)52-33(36(44)55)13-6-7-14-42/h2-5,9-12,20-24,30,33-35,46-47H,6-8,13-19,42-43H2,1H3,(H2,44,55)(H,45,48)(H,49,58)(H,50,57)(H,51,56)(H,52,60)/t24-,30-,33-,34+,35-/m0/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)	BDBM50394987 (CHEMBL2163462 | US9708370, CP-AP-2) Show SMILES C[C@H](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)N1CCCN1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C41H53N13O6/c1-24(49-39(58)34(17-25-20-46-31-11-4-2-9-28(25)31)50-38(57)30(43)19-27-22-45-23-48-27)37(56)51-35(18-26-21-47-32-12-5-3-10-29(26)32)40(59)53-15-8-16-54(53)41(60)52-33(36(44)55)13-6-7-14-42/h2-5,9-12,20-24,30,33-35,46-47H,6-8,13-19,42-43H2,1H3,(H2,44,55)(H,45,48)(H,49,58)(H,50,57)(H,51,56)(H,52,60)/t24-,30-,33-,34+,35-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt 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	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))	BDBM50394987 (CHEMBL2163462 | US9708370, CP-AP-2) Show SMILES C[C@H](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)N1CCCN1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C41H53N13O6/c1-24(49-39(58)34(17-25-20-46-31-11-4-2-9-28(25)31)50-38(57)30(43)19-27-22-45-23-48-27)37(56)51-35(18-26-21-47-32-12-5-3-10-29(26)32)40(59)53-15-8-16-54(53)41(60)52-33(36(44)55)13-6-7-14-42/h2-5,9-12,20-24,30,33-35,46-47H,6-8,13-19,42-43H2,1H3,(H2,44,55)(H,45,48)(H,49,58)(H,50,57)(H,51,56)(H,52,60)/t24-,30-,33-,34+,35-/m0/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)	BDBM50394987 (CHEMBL2163462 | US9708370, CP-AP-2) Show SMILES C[C@H](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)N1CCCN1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C41H53N13O6/c1-24(49-39(58)34(17-25-20-46-31-11-4-2-9-28(25)31)50-38(57)30(43)19-27-22-45-23-48-27)37(56)51-35(18-26-21-47-32-12-5-3-10-29(26)32)40(59)53-15-8-16-54(53)41(60)52-33(36(44)55)13-6-7-14-42/h2-5,9-12,20-24,30,33-35,46-47H,6-8,13-19,42-43H2,1H3,(H2,44,55)(H,45,48)(H,49,58)(H,50,57)(H,51,56)(H,52,60)/t24-,30-,33-,34+,35-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt 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 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