BDBM50406488 CHEMBL2079550

SMILES: CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)C(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=NSZLUJBCKBUSHL-BGBFCPIGSA-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 = 50406488   

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 B receptor (Bos taurus)	BDBM50406488 (CHEMBL2079550) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)C(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H59F2N9O12S2/c1-27(61)55-37(22-29-13-15-31(16-14-29)49(50,51)48(71)72)45(68)57-34(17-19-73-2)43(66)54-26-40(62)56-38(23-30-25-53-33-12-8-7-11-32(30)33)46(69)58-35(18-20-74-3)44(67)60-39(24-41(63)64)47(70)59-36(42(52)65)21-28-9-5-4-6-10-28/h4-16,25,34-39,53H,17-24,26H2,1-3H3,(H2,52,65)(H,54,66)(H,55,61)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,63,64)(H,71,72)/t34-,35-,36-,37-,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes				J Med Chem 34: 1125-36 (1991) BindingDB Entry DOI: 10.7270/Q27P8XCT
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50406488 (CHEMBL2079550) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)C(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H59F2N9O12S2/c1-27(61)55-37(22-29-13-15-31(16-14-29)49(50,51)48(71)72)45(68)57-34(17-19-73-2)43(66)54-26-40(62)56-38(23-30-25-53-33-12-8-7-11-32(30)33)46(69)58-35(18-20-74-3)44(67)60-39(24-41(63)64)47(70)59-36(42(52)65)21-28-9-5-4-6-10-28/h4-16,25,34-39,53H,17-24,26H2,1-3H3,(H2,52,65)(H,54,66)(H,55,61)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,63,64)(H,71,72)/t34-,35-,36-,37-,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes				J Med Chem 34: 1125-36 (1991) BindingDB Entry DOI: 10.7270/Q27P8XCT
					More data for this Ligand-Target Pair