BDBM50472893 CHEMBL333517

SMILES: [H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(C=O)c4)C1=O)(C2)C3

InChI Key: InChIKey=KGZJUHDSNTYGII-NZSQPJRMSA-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 = 50472893   

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))	BDBM50472893 (CHEMBL333517) Show SMILES [H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(C=O)c4)C1=O)(C2)C3 |TLB:8:1:44:6.9.5,8:6:44:1.43.2,THB:2:3:9:1.43.8,2:1:9:3.44.5| Show InChI InChI=1S/C34H34N4O4/c39-20-22-7-6-8-26(16-22)35-33(42)36-30-31(40)37(21-34-17-23-13-24(18-34)15-25(14-23)19-34)28-11-4-5-12-29(28)38(32(30)41)27-9-2-1-3-10-27/h1-12,16,20,23-25,30H,13-15,17-19,21H2,(H2,35,36,42)/t23-,24+,25-,30?,34?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.955	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50472893 (CHEMBL333517) Show SMILES [H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CN1c4ccccc4N(c4ccccc4)C(=O)C(NC(=O)Nc4cccc(C=O)c4)C1=O)(C2)C3 |TLB:8:1:44:6.9.5,8:6:44:1.43.2,THB:2:3:9:1.43.8,2:1:9:3.44.5| Show InChI InChI=1S/C34H34N4O4/c39-20-22-7-6-8-26(16-22)35-33(42)36-30-31(40)37(21-34-17-23-13-24(18-34)15-25(14-23)19-34)28-11-4-5-12-29(28)38(32(30)41)27-9-2-1-3-10-27/h1-12,16,20,23-25,30H,13-15,17-19,21H2,(H2,35,36,42)/t23-,24+,25-,30?,34?	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type A receptor of rat pancreatic membranes				J Med Chem 43: 3596-613 (2000) Article DOI: 10.1021/jm990967h BindingDB Entry DOI: 10.7270/Q26H4M5V
					More data for this Ligand-Target Pair