BDBM50475520 CHEMBL2067958

SMILES: CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2[nH]cnc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)c1cc(cc(c1)C(O)=O)C(O)=O

InChI Key: InChIKey=KOTSZHXLMAWFTD-CEGCGHHPSA-N

Data: 2 KI

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 = 50475520   

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 (MOUSE)	BDBM50475520 (CHEMBL2067958) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2[nH]cnc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)c1cc(cc(c1)C(O)=O)C(O)=O |r,TLB:48:47:50:43.42.44,48:43:50:47.49.46,THB:46:45:42:47.49.48,46:47:42:45.50.44| Show InChI InChI=1S/C38H39N5O7.C7H17NO5/c1-43(27-12-25(36(47)48)11-26(13-27)37(49)50)35(46)32(10-21-5-3-2-4-6-21)42-34(45)29-15-31-30(40-20-41-31)14-28(29)33(44)39-19-38-16-22-7-23(17-38)9-24(8-22)18-38;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-6,11-15,20,22-24,32H,7-10,16-19H2,1H3,(H,39,44)(H,40,41)(H,42,45)(H,47,48)(H,49,50);4-13H,2-3H2,1H3/t22?,23?,24?,32-,38?;4-,5+,6+,7+/m00/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description Inhibition of 20 pM [125I]BH-CCK-8S binding to mouse cortical membrane Cholecystokinin 2 receptor				J Med Chem 48: 6790-802 (2005) Article DOI: 10.1021/jm049069y BindingDB Entry DOI: 10.7270/Q2BC428F
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50475520 (CHEMBL2067958) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2[nH]cnc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)c1cc(cc(c1)C(O)=O)C(O)=O |r,TLB:48:47:50:43.42.44,48:43:50:47.49.46,THB:46:45:42:47.49.48,46:47:42:45.50.44| Show InChI InChI=1S/C38H39N5O7.C7H17NO5/c1-43(27-12-25(36(47)48)11-26(13-27)37(49)50)35(46)32(10-21-5-3-2-4-6-21)42-34(45)29-15-31-30(40-20-41-31)14-28(29)33(44)39-19-38-16-22-7-23(17-38)9-24(8-22)18-38;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-6,11-15,20,22-24,32H,7-10,16-19H2,1H3,(H,39,44)(H,40,41)(H,42,45)(H,47,48)(H,49,50);4-13H,2-3H2,1H3/t22?,23?,24?,32-,38?;4-,5+,6+,7+/m00/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description Inhibition of 20 pM [125I]BH-CCK-8S binding to guinea pig pancreas membrane Cholecystokinin 1 receptor				J Med Chem 48: 6790-802 (2005) Article DOI: 10.1021/jm049069y BindingDB Entry DOI: 10.7270/Q2BC428F
					More data for this Ligand-Target Pair