BDBM50007932 Boc-Tyr(SO3H)NLe-Gly-Trp-Orn(Z)-Asp-NH2::CHEMBL2370441

SMILES: CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=WIYNKXICRSDZRH-WGXSSYHUSA-N

Data: 2 KI

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 2 hits for monomerid = 50007932   

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
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50007932 (Boc-Tyr(SO3H)NLe-Gly-Trp-Orn(Z)-Asp-NH2 | CHEMBL23...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C56H76N10O16S/c1-8-9-19-39(62-50(73)42(66-54(77)82-56(5,6)7)28-34-22-24-36(25-23-34)83(78,79)80)48(71)60-32-45(67)61-43(29-35-31-59-38-20-14-13-18-37(35)38)51(74)63-40(21-15-26-58-53(76)81-55(2,3)4)49(72)65-44(30-46(68)69)52(75)64-41(47(57)70)27-33-16-11-10-12-17-33/h10-14,16-18,20,22-25,31,39-44,59H,8-9,15,19,21,26-30,32H2,1-7H3,(H2,57,70)(H,58,76)(H,60,71)(H,61,67)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,77)(H,68,69)(H,78,79,80)/t39-,40-,41-,42-,43-,44-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes				J Med Chem 33: 3199-204 (1991) BindingDB Entry DOI: 10.7270/Q2XP73WF
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50007932 (Boc-Tyr(SO3H)NLe-Gly-Trp-Orn(Z)-Asp-NH2 | CHEMBL23...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C56H76N10O16S/c1-8-9-19-39(62-50(73)42(66-54(77)82-56(5,6)7)28-34-22-24-36(25-23-34)83(78,79)80)48(71)60-32-45(67)61-43(29-35-31-59-38-20-14-13-18-37(35)38)51(74)63-40(21-15-26-58-53(76)81-55(2,3)4)49(72)65-44(30-46(68)69)52(75)64-41(47(57)70)27-33-16-11-10-12-17-33/h10-14,16-18,20,22-25,31,39-44,59H,8-9,15,19,21,26-30,32H2,1-7H3,(H2,57,70)(H,58,76)(H,60,71)(H,61,67)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,77)(H,68,69)(H,78,79,80)/t39-,40-,41-,42-,43-,44-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes				J Med Chem 33: 3199-204 (1991) BindingDB Entry DOI: 10.7270/Q2XP73WF
					More data for this Ligand-Target Pair