BDBM50013181 (2-(Acetylamino-methylsulfanyl)-1-{[5-(2-fluoro-phenyl)-1-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-ylmethyl]-carbamoyl}-ethyl)-carbamic acid tert-butyl ester::CHEMBL336256

SMILES: CN1C(CNC(=O)C(CSCNC(C)=O)NC(=O)OC(C)(C)C)CN=C(c2ccccc2F)c2ccccc12

InChI Key: InChIKey=SBZYUWXWVROSHB-UHFFFAOYSA-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 = 50013181   

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 (RAT)	BDBM50013181 ((2-(Acetylamino-methylsulfanyl)-1-{[5-(2-fluoro-ph...) Show SMILES CN1C(CNC(=O)C(CSCNC(C)=O)NC(=O)OC(C)(C)C)CN=C(c2ccccc2F)c2ccccc12 |t:24| Show InChI InChI=1S/C28H36FN5O4S/c1-18(35)32-17-39-16-23(33-27(37)38-28(2,3)4)26(36)31-15-19-14-30-25(20-10-6-8-12-22(20)29)21-11-7-9-13-24(21)34(19)5/h6-13,19,23H,14-17H2,1-5H3,(H,31,36)(H,32,35)(H,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas				J Med Chem 33: 450-5 (1990) BindingDB Entry DOI: 10.7270/Q26M35TN
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50013181 ((2-(Acetylamino-methylsulfanyl)-1-{[5-(2-fluoro-ph...) Show SMILES CN1C(CNC(=O)C(CSCNC(C)=O)NC(=O)OC(C)(C)C)CN=C(c2ccccc2F)c2ccccc12 |t:24| Show InChI InChI=1S/C28H36FN5O4S/c1-18(35)32-17-39-16-23(33-27(37)38-28(2,3)4)26(36)31-15-19-14-30-25(20-10-6-8-12-22(20)29)21-11-7-9-13-24(21)34(19)5/h6-13,19,23H,14-17H2,1-5H3,(H,31,36)(H,32,35)(H,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues				J Med Chem 33: 450-5 (1990) BindingDB Entry DOI: 10.7270/Q26M35TN
					More data for this Ligand-Target Pair