BDBM50003670 3-{2-[2-(2-{2-[2-Acetylamino-3-(4-sulfo-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid::CHEMBL438773

SMILES: CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=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=GXSMQLPRQIGSAA-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 = 50003670   

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)	BDBM50003670 (3-{2-[2-(2-{2-[2-Acetylamino-3-(4-sulfo-phenyl)-pr...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=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/C47H59N9O13S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)53-34(17-19-70-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-71-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/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	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Concentration of the compound inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type B receptor of bovine striatum.				J Med Chem 35: 4249-52 (1992) BindingDB Entry DOI: 10.7270/Q2Z60N07
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50003670 (3-{2-[2-(2-{2-[2-Acetylamino-3-(4-sulfo-phenyl)-pr...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=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/C47H59N9O13S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)53-34(17-19-70-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-71-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.				J Med Chem 35: 4249-52 (1992) BindingDB Entry DOI: 10.7270/Q2Z60N07
					More data for this Ligand-Target Pair