BDBM50002475 3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(4-nitro-phenyl)-acryloylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate::CHEMBL294178::CHEMBL3144560

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)\C=C/c1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=NQIRBLCAICHGDL-QTNFWPTDSA-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 = 50002475   

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))	BDBM50002475 (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)\C=C/c1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C44H52N8O11/c1-44(2,3)63-43(60)51-35(24-29-26-47-32-14-8-7-13-31(29)32)41(58)48-33(15-9-10-22-46-37(53)21-18-27-16-19-30(20-17-27)52(61)62)40(57)50-36(25-38(54)55)42(59)49-34(39(45)56)23-28-11-5-4-6-12-28/h4-8,11-14,16-21,26,33-36,47H,9-10,15,22-25H2,1-3H3,(H2,45,56)(H,46,53)(H,48,58)(H,49,59)(H,50,57)(H,51,60)(H,54,55)/t33-,34?,35?,36?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex				J Med Chem 35: 2007-14 (1992) BindingDB Entry DOI: 10.7270/Q21J9BDC
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50002475 (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)\C=C/c1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C44H52N8O11/c1-44(2,3)63-43(60)51-35(24-29-26-47-32-14-8-7-13-31(29)32)41(58)48-33(15-9-10-22-46-37(53)21-18-27-16-19-30(20-17-27)52(61)62)40(57)50-36(25-38(54)55)42(59)49-34(39(45)56)23-28-11-5-4-6-12-28/h4-8,11-14,16-21,26,33-36,47H,9-10,15,22-25H2,1-3H3,(H2,45,56)(H,46,53)(H,48,58)(H,49,59)(H,50,57)(H,51,60)(H,54,55)/t33-,34?,35?,36?/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas.				J Med Chem 35: 2007-14 (1992) BindingDB Entry DOI: 10.7270/Q21J9BDC
					More data for this Ligand-Target Pair