BDBM50002874 CHEMBL374388

SMILES: OC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1

InChI Key: InChIKey=LWFUCTBCDZRRHU-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 = 50002874   

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))	BDBM50002874 (CHEMBL374388) Show SMILES OC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1 |t:13,TLB:34:35:33.32.38:39,THB:34:33:35.40.36:39,36:35:32:38.37.39,36:37:34.35.40:32| Show InChI InChI=1S/C35H40N4O5/c40-30(35-17-22-13-23(18-35)15-24(14-22)19-35)20-38-29-12-5-4-11-28(29)32(25-7-2-1-3-8-25)37-39(34(38)44)21-31(41)36-27-10-6-9-26(16-27)33(42)43/h4-6,9-12,16,22-25H,1-3,7-8,13-15,17-21H2,(H,36,41)(H,42,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells				J Med Chem 50: 3101-12 (2007) Checked by Author Article DOI: 10.1021/jm070139l BindingDB Entry DOI: 10.7270/Q2QJ7JHN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50002874 (CHEMBL374388) Show SMILES OC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1 |t:13,TLB:34:35:33.32.38:39,THB:34:33:35.40.36:39,36:35:32:38.37.39,36:37:34.35.40:32| Show InChI InChI=1S/C35H40N4O5/c40-30(35-17-22-13-23(18-35)15-24(14-22)19-35)20-38-29-12-5-4-11-28(29)32(25-7-2-1-3-8-25)37-39(34(38)44)21-31(41)36-27-10-6-9-26(16-27)33(42)43/h4-6,9-12,16,22-25H,1-3,7-8,13-15,17-21H2,(H,36,41)(H,42,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.91E+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 Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in PC3 cells				J Med Chem 50: 3101-12 (2007) Checked by Author Article DOI: 10.1021/jm070139l BindingDB Entry DOI: 10.7270/Q2QJ7JHN
					More data for this Ligand-Target Pair