BDBM50287259 CHEMBL286908::N-[2-(2-Guanidino-thiazol-4-ylmethylsulfanyl)-ethyl]-3-{2-[2-oxo-5-phenyl-3-(3-m-tolyl-ureido)-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetylamino}-propionamide

SMILES: [#6]-c1cccc(-[#7]-[#6](=O)-[#7]-[#6]-2-[#7]=[#6](-c3ccccc3)-c3ccccc3-[#7](-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-c3csc(\[#7]=[#6](\[#7])-[#7])n3)-[#6]-2=O)c1

InChI Key: InChIKey=RLQPQVFXNUEGBZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50287259   

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))	BDBM50287259 (CHEMBL286908 | N-[2-(2-Guanidino-thiazol-4-ylmethy...) Show SMILES [#6]-c1cccc(-[#7]-[#6](=O)-[#7]-[#6]-2-[#7]=[#6](-c3ccccc3)-c3ccccc3-[#7](-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-c3csc(\[#7]=[#6](\[#7])-[#7])n3)-[#6]-2=O)c1 |t:11| Show InChI InChI=1S/C35H38N10O4S2/c1-22-8-7-11-24(18-22)40-34(49)43-31-32(48)45(27-13-6-5-12-26(27)30(42-31)23-9-3-2-4-10-23)19-29(47)38-15-14-28(46)39-16-17-50-20-25-21-51-35(41-25)44-33(36)37/h2-13,18,21,31H,14-17,19-20H2,1H3,(H,38,47)(H,39,46)(H2,40,43,49)(H4,36,37,41,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against gastrin receptor				Bioorg Med Chem Lett 6: 1421-1426 (1996) Article DOI: 10.1016/S0960-894X(96)00248-X BindingDB Entry DOI: 10.7270/Q2251J56
					More data for this Ligand-Target Pair
Cholecystokinin receptor (MOUSE)	BDBM50287259 (CHEMBL286908 | N-[2-(2-Guanidino-thiazol-4-ylmethy...) Show SMILES [#6]-c1cccc(-[#7]-[#6](=O)-[#7]-[#6]-2-[#7]=[#6](-c3ccccc3)-c3ccccc3-[#7](-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-c3csc(\[#7]=[#6](\[#7])-[#7])n3)-[#6]-2=O)c1 |t:11| Show InChI InChI=1S/C35H38N10O4S2/c1-22-8-7-11-24(18-22)40-34(49)43-31-32(48)45(27-13-6-5-12-26(27)30(42-31)23-9-3-2-4-10-23)19-29(47)38-15-14-28(46)39-16-17-50-20-25-21-51-35(41-25)44-33(36)37/h2-13,18,21,31H,14-17,19-20H2,1H3,(H,38,47)(H,39,46)(H2,40,43,49)(H4,36,37,41,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Cholecystokinin type B receptor				Bioorg Med Chem Lett 6: 1421-1426 (1996) Article DOI: 10.1016/S0960-894X(96)00248-X BindingDB Entry DOI: 10.7270/Q2251J56
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Mus musculus)	BDBM50287259 (CHEMBL286908 | N-[2-(2-Guanidino-thiazol-4-ylmethy...) Show SMILES [#6]-c1cccc(-[#7]-[#6](=O)-[#7]-[#6]-2-[#7]=[#6](-c3ccccc3)-c3ccccc3-[#7](-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-c3csc(\[#7]=[#6](\[#7])-[#7])n3)-[#6]-2=O)c1 |t:11| Show InChI InChI=1S/C35H38N10O4S2/c1-22-8-7-11-24(18-22)40-34(49)43-31-32(48)45(27-13-6-5-12-26(27)30(42-31)23-9-3-2-4-10-23)19-29(47)38-15-14-28(46)39-16-17-50-20-25-21-51-35(41-25)44-33(36)37/h2-13,18,21,31H,14-17,19-20H2,1H3,(H,38,47)(H,39,46)(H2,40,43,49)(H4,36,37,41,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Cholecystokinin type A receptor				Bioorg Med Chem Lett 6: 1421-1426 (1996) Article DOI: 10.1016/S0960-894X(96)00248-X BindingDB Entry DOI: 10.7270/Q2251J56
					More data for this Ligand-Target Pair