BDBM50007992 3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(4-trifluoromethyl-phenyl)-ureido]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid::CHEMBL3142704::CHEMBL94989

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=UJDLCWLDOCNQKH-XILBPPKJSA-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 = 50007992   

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))	BDBM50007992 (3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C43H51F3N8O9/c1-42(2,3)63-41(62)54-33(22-26-24-49-30-14-8-7-13-29(26)30)38(59)51-31(15-9-10-20-48-40(61)50-28-18-16-27(17-19-28)43(44,45)46)37(58)53-34(23-35(55)56)39(60)52-32(36(47)57)21-25-11-5-4-6-12-25/h4-8,11-14,16-19,24,31-34,49H,9-10,15,20-23H2,1-3H3,(H2,47,57)(H,51,59)(H,52,60)(H,53,58)(H,54,62)(H,55,56)(H2,48,50,61)/t31-,32?,33?,34?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand				J Med Chem 34: 2837-42 (1991) BindingDB Entry DOI: 10.7270/Q2JD4VRF
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50007992 (3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C43H51F3N8O9/c1-42(2,3)63-41(62)54-33(22-26-24-49-30-14-8-7-13-29(26)30)38(59)51-31(15-9-10-20-48-40(61)50-28-18-16-27(17-19-28)43(44,45)46)37(58)53-34(23-35(55)56)39(60)52-32(36(47)57)21-25-11-5-4-6-12-25/h4-8,11-14,16-19,24,31-34,49H,9-10,15,20-23H2,1-3H3,(H2,47,57)(H,51,59)(H,52,60)(H,53,58)(H,54,62)(H,55,56)(H2,48,50,61)/t31-,32?,33?,34?/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand				J Med Chem 34: 2837-42 (1991) BindingDB Entry DOI: 10.7270/Q2JD4VRF
					More data for this Ligand-Target Pair