BDBM50406497 CHEMBL2079606

SMILES: CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1nnn[nH]1)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=ILOSQOBMIQVKSA-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 = 50406497   

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)	BDBM50406497 (CHEMBL2079606) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1nnn[nH]1)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/C48H59N13O10S2/c1-27(62)52-37(22-29-13-15-30(16-14-29)43-58-60-61-59-43)46(69)54-34(17-19-72-2)44(67)51-26-40(63)53-38(23-31-25-50-33-12-8-7-11-32(31)33)47(70)55-35(18-20-73-3)45(68)57-39(24-41(64)65)48(71)56-36(42(49)66)21-28-9-5-4-6-10-28/h4-16,25,34-39,50H,17-24,26H2,1-3H3,(H2,49,66)(H,51,67)(H,52,62)(H,53,63)(H,54,69)(H,55,70)(H,56,71)(H,57,68)(H,64,65)(H,58,59,60,61)/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	0.5	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)	BDBM50406497 (CHEMBL2079606) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1nnn[nH]1)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/C48H59N13O10S2/c1-27(62)52-37(22-29-13-15-30(16-14-29)43-58-60-61-59-43)46(69)54-34(17-19-72-2)44(67)51-26-40(63)53-38(23-31-25-50-33-12-8-7-11-32(31)33)47(70)55-35(18-20-73-3)45(68)57-39(24-41(64)65)48(71)56-36(42(49)66)21-28-9-5-4-6-10-28/h4-16,25,34-39,50H,17-24,26H2,1-3H3,(H2,49,66)(H,51,67)(H,52,62)(H,53,63)(H,54,69)(H,55,70)(H,56,71)(H,57,68)(H,64,65)(H,58,59,60,61)/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	3	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