BDBM50020211 CHEMBL216353::D-Phec(-Cys-Tyr-D-Trp-Lys-Thr-Pen-)Asn-NH2

SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1

InChI Key: InChIKey=RTBMXCZGXDQCQH-RSYJOQQOSA-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 = 50020211   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50020211 (CHEMBL216353 | D-Phec(-Cys-Tyr-D-Trp-Lys-Thr-Pen-)...) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1 Show InChI InChI=1S/C51H68N12O11S2/c1-27(64)41-49(73)63-42(50(74)58-36(43(55)67)24-40(54)66)51(2,3)76-75-26-39(61-44(68)33(53)21-28-11-5-4-6-12-28)48(72)59-37(22-29-16-18-31(65)19-17-29)46(70)60-38(23-30-25-56-34-14-8-7-13-32(30)34)47(71)57-35(45(69)62-41)15-9-10-20-52/h4-8,11-14,16-19,25,27,33,35-39,41-42,56,64-65H,9-10,15,20-24,26,52-53H2,1-3H3,(H2,54,66)(H2,55,67)(H,57,71)(H,58,74)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,63,73)/t27-,33-,35+,36+,37+,38+,39+,41+,42-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity in competition with [3H]- CTOP in Opioid receptor mu 1 binding to rat brain membrane				J Med Chem 31: 2170-7 (1988) BindingDB Entry DOI: 10.7270/Q2J38RJX
					More data for this Ligand-Target Pair
Somatostatin receptor (RAT)	BDBM50020211 (CHEMBL216353 | D-Phec(-Cys-Tyr-D-Trp-Lys-Thr-Pen-)...) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1 Show InChI InChI=1S/C51H68N12O11S2/c1-27(64)41-49(73)63-42(50(74)58-36(43(55)67)24-40(54)66)51(2,3)76-75-26-39(61-44(68)33(53)21-28-11-5-4-6-12-28)48(72)59-37(22-29-16-18-31(65)19-17-29)46(70)60-38(23-30-25-56-34-14-8-7-13-32(30)34)47(71)57-35(45(69)62-41)15-9-10-20-52/h4-8,11-14,16-19,25,27,33,35-39,41-42,56,64-65H,9-10,15,20-24,26,52-53H2,1-3H3,(H2,54,66)(H2,55,67)(H,57,71)(H,58,74)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,63,73)/t27-,33-,35+,36+,37+,38+,39+,41+,42-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity in competition with [125I]- CGP-23996 in somatostatin receptor binding to rat brain membrane				J Med Chem 31: 2170-7 (1988) BindingDB Entry DOI: 10.7270/Q2J38RJX
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50020211 (CHEMBL216353 | D-Phec(-Cys-Tyr-D-Trp-Lys-Thr-Pen-)...) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1 Show InChI InChI=1S/C51H68N12O11S2/c1-27(64)41-49(73)63-42(50(74)58-36(43(55)67)24-40(54)66)51(2,3)76-75-26-39(61-44(68)33(53)21-28-11-5-4-6-12-28)48(72)59-37(22-29-16-18-31(65)19-17-29)46(70)60-38(23-30-25-56-34-14-8-7-13-32(30)34)47(71)57-35(45(69)62-41)15-9-10-20-52/h4-8,11-14,16-19,25,27,33,35-39,41-42,56,64-65H,9-10,15,20-24,26,52-53H2,1-3H3,(H2,54,66)(H2,55,67)(H,57,71)(H,58,74)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,63,73)/t27-,33-,35+,36+,37+,38+,39+,41+,42-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity in competition with [3H]- DPDPE in Opioid receptor delta 1 binding to rat brain membrane				J Med Chem 31: 2170-7 (1988) BindingDB Entry DOI: 10.7270/Q2J38RJX
					More data for this Ligand-Target Pair