BDBM50475517 CHEMBL2067954

SMILES: CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cc(NC(=O)c2[nH]c(nc2CC2CCCCCC2)-c2ccc3[nH]ccc3c2)cc(c1)C(O)=O

InChI Key: InChIKey=CUCICFZWPMZWOH-UHFFFAOYSA-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 = 50475517   

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 (MOUSE)	BDBM50475517 (CHEMBL2067954) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cc(NC(=O)c2[nH]c(nc2CC2CCCCCC2)-c2ccc3[nH]ccc3c2)cc(c1)C(O)=O |r| Show InChI InChI=1S/C28H28N4O5/c33-26(30-21-14-19(27(34)35)13-20(15-21)28(36)37)24-23(11-16-5-3-1-2-4-6-16)31-25(32-24)18-7-8-22-17(12-18)9-10-29-22/h7-10,12-16,29H,1-6,11H2,(H,30,33)(H,31,32)(H,34,35)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description Inhibition of 20 pM [125I]BH-CCK-8S binding to mouse cortical membrane Cholecystokinin 2 receptor				J Med Chem 48: 6790-802 (2005) Article DOI: 10.1021/jm049069y BindingDB Entry DOI: 10.7270/Q2BC428F
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50475517 (CHEMBL2067954) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cc(NC(=O)c2[nH]c(nc2CC2CCCCCC2)-c2ccc3[nH]ccc3c2)cc(c1)C(O)=O |r| Show InChI InChI=1S/C28H28N4O5/c33-26(30-21-14-19(27(34)35)13-20(15-21)28(36)37)24-23(11-16-5-3-1-2-4-6-16)31-25(32-24)18-7-8-22-17(12-18)9-10-29-22/h7-10,12-16,29H,1-6,11H2,(H,30,33)(H,31,32)(H,34,35)(H,36,37)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description Inhibition of 20 pM [125I]BH-CCK-8S binding to guinea pig pancreas membrane Cholecystokinin 1 receptor				J Med Chem 48: 6790-802 (2005) Article DOI: 10.1021/jm049069y BindingDB Entry DOI: 10.7270/Q2BC428F
					More data for this Ligand-Target Pair