BDBM50061271 (2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-4-(4-chloro-phenoxy)-pyrrolidine-2-carboxylic acid::CHEMBL435404

SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)cc1

InChI Key: InChIKey=XKNKIJOITBWHMM-KYAQRFMDSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50061271   

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
CCKBR (RAT)	BDBM50061271 ((2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-...) Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)cc1 |TLB:25:17:24:21.22.20,15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,15:16:24:21.22.20| Show InChI InChI=1S/C33H37ClN4O6/c1-33(16-21-17-35-28-5-3-2-4-27(21)28,36-32(42)44-38-23-11-19-10-20(13-23)14-24(38)12-19)31(41)37-18-26(15-29(37)30(39)40)43-25-8-6-22(34)7-9-25/h2-9,17,19-20,23-24,26,29,35H,10-16,18H2,1H3,(H,36,42)(H,39,40)/t19-,20+,23-,24+,26-,29-,33-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Compound was tested for the affinity against Cholecystokinin type B receptor on guinea pig cortex.				J Med Chem 40: 3947-56 (1998) Article DOI: 10.1021/jm970439a BindingDB Entry DOI: 10.7270/Q27H1K8Z
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50061271 ((2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-...) Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)cc1 |TLB:25:17:24:21.22.20,15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,15:16:24:21.22.20| Show InChI InChI=1S/C33H37ClN4O6/c1-33(16-21-17-35-28-5-3-2-4-27(21)28,36-32(42)44-38-23-11-19-10-20(13-23)14-24(38)12-19)31(41)37-18-26(15-29(37)30(39)40)43-25-8-6-22(34)7-9-25/h2-9,17,19-20,23-24,26,29,35H,10-16,18H2,1H3,(H,36,42)(H,39,40)/t19-,20+,23-,24+,26-,29-,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Compound was tested for binding affinity against rat brain Cholecystokinin type B receptor expressed in CHO cells.				J Med Chem 40: 3947-56 (1998) Article DOI: 10.1021/jm970439a BindingDB Entry DOI: 10.7270/Q27H1K8Z
					More data for this Ligand-Target Pair
CCKBR (RAT)	BDBM50061271 ((2R,4R)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-...) Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)cc1 |TLB:25:17:24:21.22.20,15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,15:16:24:21.22.20| Show InChI InChI=1S/C33H37ClN4O6/c1-33(16-21-17-35-28-5-3-2-4-27(21)28,36-32(42)44-38-23-11-19-10-20(13-23)14-24(38)12-19)31(41)37-18-26(15-29(37)30(39)40)43-25-8-6-22(34)7-9-25/h2-9,17,19-20,23-24,26,29,35H,10-16,18H2,1H3,(H,36,42)(H,39,40)/t19-,20+,23-,24+,26-,29-,33-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of inositol phosphate production induced by Cholecystokinin type B receptor (0.5 nM)				J Med Chem 40: 3947-56 (1998) Article DOI: 10.1021/jm970439a BindingDB Entry DOI: 10.7270/Q27H1K8Z
					More data for this Ligand-Target Pair