BDBM50421881 CHEMBL2112488

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O

InChI Key: InChIKey=XGTMPXURQPJNOS-FHWLQOOXSA-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 = 50421881   

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))	BDBM50421881 (CHEMBL2112488) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O |r| Show InChI InChI=1S/C25H36N6O7/c1-25(2,3)38-24(37)31-19(11-14-13-28-16-8-5-4-7-15(14)16)23(36)29-17(9-6-10-26)22(35)30-18(21(27)34)12-20(32)33/h4-5,7-8,13,17-19,28H,6,9-12,26H2,1-3H3,(H2,27,34)(H,29,36)(H,30,35)(H,31,37)(H,32,33)/t17-,18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+5	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)	BDBM50421881 (CHEMBL2112488) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O |r| Show InChI InChI=1S/C25H36N6O7/c1-25(2,3)38-24(37)31-19(11-14-13-28-16-8-5-4-7-15(14)16)23(36)29-17(9-6-10-26)22(35)30-18(21(27)34)12-20(32)33/h4-5,7-8,13,17-19,28H,6,9-12,26H2,1-3H3,(H2,27,34)(H,29,36)(H,30,35)(H,31,37)(H,32,33)/t17-,18-,19-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+6	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