BDBM50052181 CHEMBL92924::N-((S)-1-Adamantan-2-yl-pyrrolidin-3-yl)-5-chloro-4-(cyclopropanecarbonyl-amino)-2-methoxy-benzamide

SMILES: COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C1)C1C2CC3CC(C2)CC1C3

InChI Key: InChIKey=UYRXOOUBRAEWNZ-OBBCFLIVSA-N

Data: 3 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 3 hits for monomerid = 50052181   

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
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50052181 (CHEMBL92924 | N-((S)-1-Adamantan-2-yl-pyrrolidin-3...) Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C1)C1C2CC3CC(C2)CC1C3 |wU:18.19,TLB:29:24:32:28.30.27,29:28:23.24.25:32,THB:21:23:32:28.30.27,27:28:23:26.25.32,27:26:23:28.30.29,(5.91,-4.27,;5.93,-2.73,;4.6,-1.96,;3.25,-2.73,;1.92,-1.96,;.59,-2.73,;-.74,-1.96,;-.74,-.4,;-2.08,-2.73,;-3.62,-2.73,;-2.85,-4.06,;1.92,-.4,;.59,.35,;3.25,.37,;4.6,-.4,;5.93,.37,;5.93,1.91,;7.23,-.4,;8.34,.69,;8.34,2.23,;11,2.24,;11.07,.74,;9.68,-.08,;12.42,,;13.77,.48,;12.72,-.75,;12.72,-2.34,;14.14,-2.9,;15.15,-1.62,;15.15,-.1,;13.75,-1.97,;12.42,-1.48,;11.23,-2.76,)| Show InChI InChI=1S/C26H34ClN3O3/c1-33-23-12-22(29-25(31)16-2-3-16)21(27)11-20(23)26(32)28-19-4-5-30(13-19)24-17-7-14-6-15(9-17)10-18(24)8-14/h11-12,14-19,24H,2-10,13H2,1H3,(H,28,32)(H,29,31)/t14?,15?,17?,18?,19-,24?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50052181 (CHEMBL92924 | N-((S)-1-Adamantan-2-yl-pyrrolidin-3...) Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C1)C1C2CC3CC(C2)CC1C3 |wU:18.19,TLB:29:24:32:28.30.27,29:28:23.24.25:32,THB:21:23:32:28.30.27,27:28:23:26.25.32,27:26:23:28.30.29,(5.91,-4.27,;5.93,-2.73,;4.6,-1.96,;3.25,-2.73,;1.92,-1.96,;.59,-2.73,;-.74,-1.96,;-.74,-.4,;-2.08,-2.73,;-3.62,-2.73,;-2.85,-4.06,;1.92,-.4,;.59,.35,;3.25,.37,;4.6,-.4,;5.93,.37,;5.93,1.91,;7.23,-.4,;8.34,.69,;8.34,2.23,;11,2.24,;11.07,.74,;9.68,-.08,;12.42,,;13.77,.48,;12.72,-.75,;12.72,-2.34,;14.14,-2.9,;15.15,-1.62,;15.15,-.1,;13.75,-1.97,;12.42,-1.48,;11.23,-2.76,)| Show InChI InChI=1S/C26H34ClN3O3/c1-33-23-12-22(29-25(31)16-2-3-16)21(27)11-20(23)26(32)28-19-4-5-30(13-19)24-17-7-14-6-15(9-17)10-18(24)8-14/h11-12,14-19,24H,2-10,13H2,1H3,(H,28,32)(H,29,31)/t14?,15?,17?,18?,19-,24?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50052181 (CHEMBL92924 | N-((S)-1-Adamantan-2-yl-pyrrolidin-3...) Show SMILES COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C1)C1C2CC3CC(C2)CC1C3 |wU:18.19,TLB:29:24:32:28.30.27,29:28:23.24.25:32,THB:21:23:32:28.30.27,27:28:23:26.25.32,27:26:23:28.30.29,(5.91,-4.27,;5.93,-2.73,;4.6,-1.96,;3.25,-2.73,;1.92,-1.96,;.59,-2.73,;-.74,-1.96,;-.74,-.4,;-2.08,-2.73,;-3.62,-2.73,;-2.85,-4.06,;1.92,-.4,;.59,.35,;3.25,.37,;4.6,-.4,;5.93,.37,;5.93,1.91,;7.23,-.4,;8.34,.69,;8.34,2.23,;11,2.24,;11.07,.74,;9.68,-.08,;12.42,,;13.77,.48,;12.72,-.75,;12.72,-2.34,;14.14,-2.9,;15.15,-1.62,;15.15,-.1,;13.75,-1.97,;12.42,-1.48,;11.23,-2.76,)| Show InChI InChI=1S/C26H34ClN3O3/c1-33-23-12-22(29-25(31)16-2-3-16)21(27)11-20(23)26(32)28-19-4-5-30(13-19)24-17-7-14-6-15(9-17)10-18(24)8-14/h11-12,14-19,24H,2-10,13H2,1H3,(H,28,32)(H,29,31)/t14?,15?,17?,18?,19-,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair