BDBM50167935 CHEMBL195083::N-{4-[4-(3-chloro-2-methoxyphenyl)piperazin-1-yl]butyl}-1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-2,2',4,4'-tetraene-6-carboxamide

SMILES: c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11

InChI Key: InChIKey=RKIAQJFOXBVIPS-UHFFFAOYSA-N

Data: 6 KI  3 EC50

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 9 hits for monomerid = 50167935   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50167935 (CHEMBL195083 | N-{4-[4-(3-chloro-2-methoxyphenyl)p...) Show SMILES c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)| Show InChI InChI=1S/C21H23ClN3O2.C5H.Fe/c1-27-20-18(22)9-6-10-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)17-7-2-3-8-17;1-2-4-5-3-1;/h6,9-10H,4-5,11-16H2,1H3,(H,23,26);1H;	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to human dopamine receptor D4.4 expressed in Chinese hamster ovary cells				J Med Chem 48: 3696-9 (2005) Article DOI: 10.1021/jm050170s BindingDB Entry DOI: 10.7270/Q20K29BF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50167935 (CHEMBL195083 | N-{4-[4-(3-chloro-2-methoxyphenyl)p...) Show SMILES c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)| Show InChI InChI=1S/C21H23ClN3O2.C5H.Fe/c1-27-20-18(22)9-6-10-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)17-7-2-3-8-17;1-2-4-5-3-1;/h6,9-10H,4-5,11-16H2,1H3,(H,23,26);1H;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in Chinese hamster ovary cells				J Med Chem 48: 3696-9 (2005) Article DOI: 10.1021/jm050170s BindingDB Entry DOI: 10.7270/Q20K29BF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50167935 (CHEMBL195083 | N-{4-[4-(3-chloro-2-methoxyphenyl)p...) Show SMILES c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)| Show InChI InChI=1S/C21H23ClN3O2.C5H.Fe/c1-27-20-18(22)9-6-10-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)17-7-2-3-8-17;1-2-4-5-3-1;/h6,9-10H,4-5,11-16H2,1H3,(H,23,26);1H;	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Binding affinity towards porcine serotonin receptor 5-HT1A using [3H]8-OH-DPAT				J Med Chem 48: 3696-9 (2005) Article DOI: 10.1021/jm050170s BindingDB Entry DOI: 10.7270/Q20K29BF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50167935 (CHEMBL195083 | N-{4-[4-(3-chloro-2-methoxyphenyl)p...) Show SMILES c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)| Show InChI InChI=1S/C21H23ClN3O2.C5H.Fe/c1-27-20-18(22)9-6-10-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)17-7-2-3-8-17;1-2-4-5-3-1;/h6,9-10H,4-5,11-16H2,1H3,(H,23,26);1H;	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to human dopamine receptor D2 short expressed in Chinese hamster ovary cells				J Med Chem 48: 3696-9 (2005) Article DOI: 10.1021/jm050170s BindingDB Entry DOI: 10.7270/Q20K29BF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50167935 (CHEMBL195083 | N-{4-[4-(3-chloro-2-methoxyphenyl)p...) Show SMILES c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)| Show InChI InChI=1S/C21H23ClN3O2.C5H.Fe/c1-27-20-18(22)9-6-10-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)17-7-2-3-8-17;1-2-4-5-3-1;/h6,9-10H,4-5,11-16H2,1H3,(H,23,26);1H;	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to human dopamine receptor D2 long expressed in Chinese hamster ovary cells				J Med Chem 48: 3696-9 (2005) Article DOI: 10.1021/jm050170s BindingDB Entry DOI: 10.7270/Q20K29BF
					More data for this Ligand-Target Pair
Dopamine D1 receptor (Sus scrofa)	BDBM50167935 (CHEMBL195083 | N-{4-[4-(3-chloro-2-methoxyphenyl)p...) Show SMILES c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)| Show InChI InChI=1S/C21H23ClN3O2.C5H.Fe/c1-27-20-18(22)9-6-10-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)17-7-2-3-8-17;1-2-4-5-3-1;/h6,9-10H,4-5,11-16H2,1H3,(H,23,26);1H;	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to dopamine receptor D1 of porcine striatal membranes				J Med Chem 48: 3696-9 (2005) Article DOI: 10.1021/jm050170s BindingDB Entry DOI: 10.7270/Q20K29BF
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50167935 (CHEMBL195083 | N-{4-[4-(3-chloro-2-methoxyphenyl)p...) Show SMILES c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)| Show InChI InChI=1S/C21H23ClN3O2.C5H.Fe/c1-27-20-18(22)9-6-10-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)17-7-2-3-8-17;1-2-4-5-3-1;/h6,9-10H,4-5,11-16H2,1H3,(H,23,26);1H;	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Effective concentration for [35S]GTP-gamma-S, binding in CHO-K1 cells expressing human dopamine D4 receptor				J Med Chem 48: 3696-9 (2005) Article DOI: 10.1021/jm050170s BindingDB Entry DOI: 10.7270/Q20K29BF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50167935 (CHEMBL195083 | N-{4-[4-(3-chloro-2-methoxyphenyl)p...) Show SMILES c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)| Show InChI InChI=1S/C21H23ClN3O2.C5H.Fe/c1-27-20-18(22)9-6-10-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)17-7-2-3-8-17;1-2-4-5-3-1;/h6,9-10H,4-5,11-16H2,1H3,(H,23,26);1H;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.80	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Effective concentration in [3H]thymidine uptake assay by CHO dhfr- mutant cells expressing human D3 receptor				J Med Chem 48: 3696-9 (2005) Article DOI: 10.1021/jm050170s BindingDB Entry DOI: 10.7270/Q20K29BF
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50167935 (CHEMBL195083 | N-{4-[4-(3-chloro-2-methoxyphenyl)p...) Show SMILES c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)| Show InChI InChI=1S/C21H23ClN3O2.C5H.Fe/c1-27-20-18(22)9-6-10-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)17-7-2-3-8-17;1-2-4-5-3-1;/h6,9-10H,4-5,11-16H2,1H3,(H,23,26);1H;	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Effective concentration from [3H]thymidine uptake assay in CHO10001 cells expressing human Dopamine receptor D4.2				J Med Chem 48: 3696-9 (2005) Article DOI: 10.1021/jm050170s BindingDB Entry DOI: 10.7270/Q20K29BF
					More data for this Ligand-Target Pair