BDBM50003205 CHEMBL421471::N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2-[2-{5-[2-carboxyamino-3-(4-sulfo-phenyl)-propionylamino]-pentanoylamino}-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-succinamic acid

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

InChI Key: InChIKey=XGDSISJPHWYUOB-XYPUQJIVSA-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 = 50003205   

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)	BDBM50003205 (CHEMBL421471 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCNC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C44H54N8O13S2/c1-66-20-18-32(41(58)51-36(24-38(54)55)43(60)50-33(39(45)56)21-26-9-3-2-4-10-26)49-42(59)35(23-28-25-47-31-12-6-5-11-30(28)31)48-37(53)13-7-8-19-46-40(57)34(52-44(61)62)22-27-14-16-29(17-15-27)67(63,64)65/h2-6,9-12,14-17,25,32-36,47,52H,7-8,13,18-24H2,1H3,(H2,45,56)(H,46,57)(H,48,53)(H,49,59)(H,50,60)(H,51,58)(H,54,55)(H,61,62)(H,63,64,65)/t32-,33-,34-,35-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of [3H]-propanoyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum				J Med Chem 35: 3774-83 (1992) BindingDB Entry DOI: 10.7270/Q2CC0ZMG
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50003205 (CHEMBL421471 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCNC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C44H54N8O13S2/c1-66-20-18-32(41(58)51-36(24-38(54)55)43(60)50-33(39(45)56)21-26-9-3-2-4-10-26)49-42(59)35(23-28-25-47-31-12-6-5-11-30(28)31)48-37(53)13-7-8-19-46-40(57)34(52-44(61)62)22-27-14-16-29(17-15-27)67(63,64)65/h2-6,9-12,14-17,25,32-36,47,52H,7-8,13,18-24H2,1H3,(H2,45,56)(H,46,57)(H,48,53)(H,49,59)(H,50,60)(H,51,58)(H,54,55)(H,61,62)(H,63,64,65)/t32-,33-,34-,35-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibition of specific [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor in rat pancreatic membran...				J Med Chem 35: 3774-83 (1992) BindingDB Entry DOI: 10.7270/Q2CC0ZMG
					More data for this Ligand-Target Pair