BDBM50016421 3-{2-[2-(6-Amino-2-{2-[2-(2-tert-butoxycarbonylamino-3-carboxy-propionylamino)-3-(4-sulfooxy-phenyl)-propionylamino]-hexanoylamino}-hexanoylamino)-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-succinamic acid::CHEMBL268849

SMILES: CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O

InChI Key: InChIKey=WIXARRXFMQJKFZ-VEKZNEBUSA-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 = 50016421   

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 (Mus musculus-MOUSE)	BDBM50016421 (3-{2-[2-(6-Amino-2-{2-[2-(2-tert-butoxycarbonylami...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C51H74N10O17S/c1-6-8-15-34(56-47(70)38(24-29-19-21-31(22-20-29)78-79(74,75)76)59-49(72)40(27-42(64)65)61-50(73)77-51(3,4)5)44(67)55-36(18-12-13-23-52)46(69)60-39(25-30-28-54-33-17-11-10-14-32(30)33)48(71)57-35(16-9-7-2)45(68)58-37(43(53)66)26-41(62)63/h10-11,14,17,19-22,28,34-40,54H,6-9,12-13,15-16,18,23-27,52H2,1-5H3,(H2,53,66)(H,55,67)(H,56,70)(H,57,71)(H,58,68)(H,59,72)(H,60,69)(H,61,73)(H,62,63)(H,64,65)(H,74,75,76)/t34-,35-,36+,37-,38-,39-,40-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in mouse brain membranes at a KD conce...				J Med Chem 30: 962-8 (1987) BindingDB Entry DOI: 10.7270/Q21J98R1
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50016421 (3-{2-[2-(6-Amino-2-{2-[2-(2-tert-butoxycarbonylami...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C51H74N10O17S/c1-6-8-15-34(56-47(70)38(24-29-19-21-31(22-20-29)78-79(74,75)76)59-49(72)40(27-42(64)65)61-50(73)77-51(3,4)5)44(67)55-36(18-12-13-23-52)46(69)60-39(25-30-28-54-33-17-11-10-14-32(30)33)48(71)57-35(16-9-7-2)45(68)58-37(43(53)66)26-41(62)63/h10-11,14,17,19-22,28,34-40,54H,6-9,12-13,15-16,18,23-27,52H2,1-5H3,(H2,53,66)(H,55,67)(H,56,70)(H,57,71)(H,58,68)(H,59,72)(H,60,69)(H,61,73)(H,62,63)(H,64,65)(H,74,75,76)/t34-,35-,36+,37-,38-,39-,40-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membrane...				J Med Chem 30: 962-8 (1987) BindingDB Entry DOI: 10.7270/Q21J98R1
					More data for this Ligand-Target Pair