BDBM50395026 CHEMBL2163442::US9708370, CP-1B(ii)

SMILES: C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)N(Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=RKMGYRGLTFKANB-NNBHCPOASA-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 = 50395026   

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))	BDBM50395026 (CHEMBL2163442 | US9708370, CP-1B(ii)) Show SMILES C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)N(Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C37H50N12O7/c1-21(33(52)46-30(32(40)51)9-5-6-14-38)44-36(55)31(15-24-17-42-29-8-4-3-7-27(24)29)47-34(53)22(2)45-37(56)49(19-23-10-12-26(50)13-11-23)48-35(54)28(39)16-25-18-41-20-43-25/h3-4,7-8,10-13,17-18,20-22,28,30-31,42,50H,5-6,9,14-16,19,38-39H2,1-2H3,(H2,40,51)(H,41,43)(H,44,55)(H,45,56)(H,46,52)(H,47,53)(H,48,54)/t21-,22+,28+,30+,31+/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)	BDBM50395026 (CHEMBL2163442 | US9708370, CP-1B(ii)) Show SMILES C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)N(Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C37H50N12O7/c1-21(33(52)46-30(32(40)51)9-5-6-14-38)44-36(55)31(15-24-17-42-29-8-4-3-7-27(24)29)47-34(53)22(2)45-37(56)49(19-23-10-12-26(50)13-11-23)48-35(54)28(39)16-25-18-41-20-43-25/h3-4,7-8,10-13,17-18,20-22,28,30-31,42,50H,5-6,9,14-16,19,38-39H2,1-2H3,(H2,40,51)(H,41,43)(H,44,55)(H,45,56)(H,46,52)(H,47,53)(H,48,54)/t21-,22+,28+,30+,31+/m1/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
Estrogen receptor alpha D538G (Homo sapiens (Human))	BDBM50395026 (CHEMBL2163442 | US9708370, CP-1B(ii)) Show SMILES C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)N(Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C37H50N12O7/c1-21(33(52)46-30(32(40)51)9-5-6-14-38)44-36(55)31(15-24-17-42-29-8-4-3-7-27(24)29)47-34(53)22(2)45-37(56)49(19-23-10-12-26(50)13-11-23)48-35(54)28(39)16-25-18-41-20-43-25/h3-4,7-8,10-13,17-18,20-22,28,30-31,42,50H,5-6,9,14-16,19,38-39H2,1-2H3,(H2,40,51)(H,41,43)(H,44,55)(H,45,56)(H,46,52)(H,47,53)(H,48,54)/t21-,22+,28+,30+,31+/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)	BDBM50395026 (CHEMBL2163442 | US9708370, CP-1B(ii)) Show SMILES C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)N(Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C37H50N12O7/c1-21(33(52)46-30(32(40)51)9-5-6-14-38)44-36(55)31(15-24-17-42-29-8-4-3-7-27(24)29)47-34(53)22(2)45-37(56)49(19-23-10-12-26(50)13-11-23)48-35(54)28(39)16-25-18-41-20-43-25/h3-4,7-8,10-13,17-18,20-22,28,30-31,42,50H,5-6,9,14-16,19,38-39H2,1-2H3,(H2,40,51)(H,41,43)(H,44,55)(H,45,56)(H,46,52)(H,47,53)(H,48,54)/t21-,22+,28+,30+,31+/m1/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