BDBM50454482 CHEMBL2110202

SMILES: CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CNc3nn[nH]n3)c2)C1=O)C1CCCCC1

InChI Key: InChIKey=AFCASZXVWNVMJE-QFIPXVFZSA-N

Data: 2 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 2 hits for monomerid = 50454482   

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))	BDBM50454482 (CHEMBL2110202) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CNc3nn[nH]n3)c2)C1=O)C1CCCCC1 |c:9| Show InChI InChI=1S/C25H29N9O2/c1-34-20-13-6-5-12-19(20)21(17-9-3-2-4-10-17)28-22(23(34)35)29-25(36)27-18-11-7-8-16(14-18)15-26-24-30-32-33-31-24/h5-8,11-14,17,22H,2-4,9-10,15H2,1H3,(H2,27,29,36)(H2,26,30,31,32,33)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type B receptor in guinea pig cortical membranes				J Med Chem 39: 842-9 (1996) Article DOI: 10.1021/jm9506736 BindingDB Entry DOI: 10.7270/Q25T3JJC
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50454482 (CHEMBL2110202) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CNc3nn[nH]n3)c2)C1=O)C1CCCCC1 |c:9| Show InChI InChI=1S/C25H29N9O2/c1-34-20-13-6-5-12-19(20)21(17-9-3-2-4-10-17)28-22(23(34)35)29-25(36)27-18-11-7-8-16(14-18)15-26-24-30-32-33-31-24/h5-8,11-14,17,22H,2-4,9-10,15H2,1H3,(H2,27,29,36)(H2,26,30,31,32,33)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research Centre Curated by ChEMBL					Assay Description Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type A receptor in pancreatic tissue				J Med Chem 39: 842-9 (1996) Article DOI: 10.1021/jm9506736 BindingDB Entry DOI: 10.7270/Q25T3JJC
					More data for this Ligand-Target Pair