BDBM50045811 CHEMBL96036::[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-acetic acid

SMILES: CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC(O)=O

InChI Key: InChIKey=QHGGFOXLYSDROG-MRPHCUBESA-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 = 50045811   

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 (Homo sapiens (Human))	BDBM50045811 (CHEMBL96036 | [2-(Adamantan-2-yloxycarbonylamino)-...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC(O)=O |wU:21.28,19.20,23.24,wD:17.19,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(14.82,-10.14,;13.5,-10.93,;12.18,-11.69,;12.19,-13.24,;13.1,-14.47,;12.19,-15.73,;10.72,-15.27,;9.39,-16.04,;8.06,-15.27,;8.06,-13.72,;9.39,-12.95,;10.72,-13.72,;12.01,-10.51,;10.68,-9.75,;9.58,-10.83,;10.28,-8.25,;8.79,-7.86,;7.46,-7.07,;6.9,-5.66,;5.27,-5.81,;4.15,-6.86,;4.71,-8.25,;5.99,-8.91,;7.06,-7.87,;6.48,-6.58,;6.32,-8.16,;14.84,-11.68,;14.82,-13.22,;16.38,-11.68,;17.15,-13.01,;18.67,-13.01,;19.45,-14.33,;19.76,-11.91,)| Show InChI InChI=1S/C25H31N3O5/c1-25(23(31)27-13-21(29)30,11-18-12-26-20-5-3-2-4-19(18)20)28-24(32)33-22-16-7-14-6-15(9-16)10-17(22)8-14/h2-5,12,14-17,22,26H,6-11,13H2,1H3,(H,27,31)(H,28,32)(H,29,30)/t14-,15+,16-,17+,22?,25?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	986	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex				J Med Chem 36: 2868-77 (1993) BindingDB Entry DOI: 10.7270/Q2MG7NK5
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50045811 (CHEMBL96036 | [2-(Adamantan-2-yloxycarbonylamino)-...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC(O)=O |wU:21.28,19.20,23.24,wD:17.19,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(14.82,-10.14,;13.5,-10.93,;12.18,-11.69,;12.19,-13.24,;13.1,-14.47,;12.19,-15.73,;10.72,-15.27,;9.39,-16.04,;8.06,-15.27,;8.06,-13.72,;9.39,-12.95,;10.72,-13.72,;12.01,-10.51,;10.68,-9.75,;9.58,-10.83,;10.28,-8.25,;8.79,-7.86,;7.46,-7.07,;6.9,-5.66,;5.27,-5.81,;4.15,-6.86,;4.71,-8.25,;5.99,-8.91,;7.06,-7.87,;6.48,-6.58,;6.32,-8.16,;14.84,-11.68,;14.82,-13.22,;16.38,-11.68,;17.15,-13.01,;18.67,-13.01,;19.45,-14.33,;19.76,-11.91,)| Show InChI InChI=1S/C25H31N3O5/c1-25(23(31)27-13-21(29)30,11-18-12-26-20-5-3-2-4-19(18)20)28-24(32)33-22-16-7-14-6-15(9-16)10-17(22)8-14/h2-5,12,14-17,22,26H,6-11,13H2,1H3,(H,27,31)(H,28,32)(H,29,30)/t14-,15+,16-,17+,22?,25?	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type A receptor in guinea pig pancreatic membranes				J Med Chem 36: 2868-77 (1993) BindingDB Entry DOI: 10.7270/Q2MG7NK5
					More data for this Ligand-Target Pair