BDBM50395019 CHEMBL2163449::US9708370, CP-2B(v)

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

InChI Key: InChIKey=YKPQXPGWURDARD-IMWSGGQMSA-N

Data: 5 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 5 hits for monomerid = 50395019   

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))	BDBM50395019 (CHEMBL2163449 | US9708370, CP-2B(v)) Show SMILES CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C45H59N11O6/c1-27(2)26-56(55-44(61)39(52-41(58)28(3)47)23-31-25-50-35-18-10-8-16-33(31)35)45(62)54-38(22-30-24-49-34-17-9-7-15-32(30)34)43(60)53-37(21-29-13-5-4-6-14-29)42(59)51-36(40(48)57)19-11-12-20-46/h4-10,13-18,24-25,27-28,36-39,49-50H,11-12,19-23,26,46-47H2,1-3H3,(H2,48,57)(H,51,59)(H,52,58)(H,53,60)(H,54,62)(H,55,61)/t28-,36-,37+,38-,39+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+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)	BDBM50395019 (CHEMBL2163449 | US9708370, CP-2B(v)) Show SMILES CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C45H59N11O6/c1-27(2)26-56(55-44(61)39(52-41(58)28(3)47)23-31-25-50-35-18-10-8-16-33(31)35)45(62)54-38(22-30-24-49-34-17-9-7-15-32(30)34)43(60)53-37(21-29-13-5-4-6-14-29)42(59)51-36(40(48)57)19-11-12-20-46/h4-10,13-18,24-25,27-28,36-39,49-50H,11-12,19-23,26,46-47H2,1-3H3,(H2,48,57)(H,51,59)(H,52,58)(H,53,60)(H,54,62)(H,55,61)/t28-,36-,37+,38-,39+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.66E+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
Platelet glycoprotein 4 (Rattus norvegicus)	BDBM50395019 (CHEMBL2163449 | US9708370, CP-2B(v)) Show SMILES CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C45H59N11O6/c1-27(2)26-56(55-44(61)39(52-41(58)28(3)47)23-31-25-50-35-18-10-8-16-33(31)35)45(62)54-38(22-30-24-49-34-17-9-7-15-32(30)34)43(60)53-37(21-29-13-5-4-6-14-29)42(59)51-36(40(48)57)19-11-12-20-46/h4-10,13-18,24-25,27-28,36-39,49-50H,11-12,19-23,26,46-47H2,1-3H3,(H2,48,57)(H,51,59)(H,52,58)(H,53,60)(H,54,62)(H,55,61)/t28-,36-,37+,38-,39+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.68E+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
Estrogen receptor alpha D538G (Homo sapiens (Human))	BDBM50395019 (CHEMBL2163449 | US9708370, CP-2B(v)) Show SMILES CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C45H59N11O6/c1-27(2)26-56(55-44(61)39(52-41(58)28(3)47)23-31-25-50-35-18-10-8-16-33(31)35)45(62)54-38(22-30-24-49-34-17-9-7-15-32(30)34)43(60)53-37(21-29-13-5-4-6-14-29)42(59)51-36(40(48)57)19-11-12-20-46/h4-10,13-18,24-25,27-28,36-39,49-50H,11-12,19-23,26,46-47H2,1-3H3,(H2,48,57)(H,51,59)(H,52,58)(H,53,60)(H,54,62)(H,55,61)/t28-,36-,37+,38-,39+/m0/s1	PDB GoogleScholar AffyNet	CHEMBL KEGG 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
Estrogen receptor alpha D538G (Homo sapiens (Human))	BDBM50395019 (CHEMBL2163449 | US9708370, CP-2B(v)) Show SMILES CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C45H59N11O6/c1-27(2)26-56(55-44(61)39(52-41(58)28(3)47)23-31-25-50-35-18-10-8-16-33(31)35)45(62)54-38(22-30-24-49-34-17-9-7-15-32(30)34)43(60)53-37(21-29-13-5-4-6-14-29)42(59)51-36(40(48)57)19-11-12-20-46/h4-10,13-18,24-25,27-28,36-39,49-50H,11-12,19-23,26,46-47H2,1-3H3,(H2,48,57)(H,51,59)(H,52,58)(H,53,60)(H,54,62)(H,55,61)/t28-,36-,37+,38-,39+/m0/s1	PDB GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.12E+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