BDBM50394991 CHEMBL2163438::US9708370, 40 CP-1A(ii)

SMILES: C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)N(Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=YNABRSYQEBQUCQ-QNDNUJMGSA-N

Data: 3 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 3 hits for monomerid = 50394991   

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
Platelet glycoprotein 4 (Rattus norvegicus)	BDBM50394991 (CHEMBL2163438 | US9708370, 40 CP-1A(ii)) Show SMILES C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)N(Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C37H50N12O6/c1-22(33(51)46-30(32(40)50)14-8-9-15-38)44-36(54)31(16-25-18-42-29-13-7-6-12-27(25)29)47-34(52)23(2)45-37(55)49(20-24-10-4-3-5-11-24)48-35(53)28(39)17-26-19-41-21-43-26/h3-7,10-13,18-19,21-23,28,30-31,42H,8-9,14-17,20,38-39H2,1-2H3,(H2,40,50)(H,41,43)(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t22-,23+,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
Estrogen receptor [D538G] (Homo sapiens (Human))	BDBM50394991 (CHEMBL2163438 | US9708370, 40 CP-1A(ii)) Show SMILES C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)N(Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C37H50N12O6/c1-22(33(51)46-30(32(40)50)14-8-9-15-38)44-36(54)31(16-25-18-42-29-13-7-6-12-27(25)29)47-34(52)23(2)45-37(55)49(20-24-10-4-3-5-11-24)48-35(53)28(39)17-26-19-41-21-43-26/h3-7,10-13,18-19,21-23,28,30-31,42H,8-9,14-17,20,38-39H2,1-2H3,(H2,40,50)(H,41,43)(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t22-,23+,28+,30+,31+/m1/s1	PDB 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	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
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50394991 (CHEMBL2163438 | US9708370, 40 CP-1A(ii)) Show SMILES C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)N(Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C37H50N12O6/c1-22(33(51)46-30(32(40)50)14-8-9-15-38)44-36(54)31(16-25-18-42-29-13-7-6-12-27(25)29)47-34(52)23(2)45-37(55)49(20-24-10-4-3-5-11-24)48-35(53)28(39)17-26-19-41-21-43-26/h3-7,10-13,18-19,21-23,28,30-31,42H,8-9,14-17,20,38-39H2,1-2H3,(H2,40,50)(H,41,43)(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t22-,23+,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